Latest in physics.atm-clus

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Autoionization dynamics of He nanodroplets resonantly excited by intense XUV laser pulsesFeb 14 2019The ionization dynamics of helium droplets in a wide size range from 220 to 10^6 He atoms irradiated with intense femtosecond extreme ultraviolet (XUV) pulses of 10^9 {\div} 10^{12} W/cm2 power density is investigated in detail by photoelectron spectroscopy. ... More
Dissociative electron attachment to pulsed supersonic O$_2$ jet : Violation of $Σ^{+} \rightleftharpoons Σ^{-}$ selection rule and dependence on carrier gas proportionFeb 14 2019The formation of $O^{-}$ and $O_{2}^{-}$ ions via dissociative electron attachment to a pulsed supersonic jet of $O_{2}$ molecules containing weakly bound small van der Waals clusters seeded in a beam of argon is reported. The energy dependence of the ... More
Infrared bands of CS2 dimer and trimer at 4.5 cm-1Feb 09 2019We report observation of new infrared bands of (CS2)2 and (CS2)3 in the region of the CS2 {\nu}1+ {\nu}3 combination band (at 4.5 cm-1) using a quantum cascade laser. The complexes are formed in a pulsed supersonic slit-jet expansion of a gas mixture ... More
Terahertz oscilloscope for recording time information of ultrashort electron beamsFeb 09 2019We propose and demonstrate a Terahertz (THz) oscilloscope for recording time information of an ultrashort electron beam. By injecting a laser-driven THz pulse with circular polarization into a dielectric tube, the electron beam is swept helically such ... More
On the nature of the positronic bondFeb 08 2019Recently it has been proposed that the positron, the anti-particle analog of the electron, is capable of forming an anti-matter bond in a composite system of two hydride anions and a positron [Angew. Chem. Int. Ed. 57, 8859 (2018)]. In order to dig into ... More
Unraveling the Metastability of C_n^{2+} (n=2-4) ClustersFeb 03 2019Pure carbon clusters have received considerable attention for a long time. However, fundamental questions such as what the smallest stable carbon cluster dication is remain unclear. Here, we investigated the stability and fragmentation behavior of C_n^{2+} ... More
Weakly bound LiHe$_2$ molecules in the framework of three-dimensional Faddeev equationsFeb 01 2019A method of direct solution of the Faddeev equations for the bound-state problem with zero total angular momentum is used to calculate the binding energies. The results for binding energies of He$_2$$^6$Li and He$_2$$^7$Li systems and helium atom - HeLi ... More
Universal Short Range Correlations in Bosonic Helium ClustersJan 31 2019Short range correlations in bosonic Helium clusters, composed of $^4$He atoms, are studied utilizing the generalized contact formalism. The emergence of universal $n$-body short range correlations is formulated and demonstrated numerically via Monte Carlo ... More
Efimov universality with Coulomb interactionJan 11 2019The universal properties of charged particles are modified by the presence of a long-range Coulomb interaction. We investigate the modification of Efimov universality as a function of the Coulomb strength using the Gaussian expansion method. The resonant ... More
Alignment of the CS$_2$ Dimer Embedded in Helium Droplets Induced by a Circularly Polarized Laser PulseJan 10 2019Dimers of carbon disulfide (CS$_2$) molecules embedded in helium nanodroplets are aligned using a moderately intense, 160ps, non-resonant, circularly polarized laser pulse. It is shown that the intermolecular carbon-carbon (C-C) axis aligns along the ... More
Few-body quantum method in a $d$-dimensional spaceJan 09 2019In this work we investigate the continuous confinement of quantum systems from three to two dimensions. Two different methods will be used and related. In the first one the confinement is achieved by putting the system under the effect of an external ... More
Coulomb cluster explosion boosted by an electrical pulse -- neutron source, diagnostic tool, and test of nuclear fusion efficiencyDec 21 2018Jan 26 2019To greatly enhance output of fusion-produced neutrons in a laser-initiated Coulomb explosion of $D$ clusters, we propose to accelerate $D^+$ ions by an electrical pulse to the energies where the $D^+ + D$ collision cross-section is the highest. With $D^+$ ... More
Inelastic scattering of photoelectrons from He nanodropletsDec 19 2018We present a detailed study of inelastic energy-loss collisions of photoelectrons emitted from He nanodroplets by tunable extreme ultraviolet (XUV) radiation. Using coincidence imaging detection of electrons and ions, we probe the lowest He droplet excited ... More
Highly efficient double ionization of mixed alkali dimers by intermolecular Coulombic decayDec 18 2018As opposed to purely molecular systems where electron dynamics proceed only through intramolecular processes, weakly bound complexes such as He droplets offer an environment where local excitations can interact with neighbouring embedded molecules leading ... More
Spatial separation of pyrrole and pyrrole-water clustersDec 14 2018We demonstrate the spatial separation of pyrrole and pyrrole(H$_2$O) clusters from the other atomic and molecular species in a supersonically-expanded beam of pyrrole and traces of water seeded in high-pressure helium gas. The experimental results are ... More
Photoionization of Endohedrals with account of fullerenes polarizationDec 12 2018We have calculated photoionization cross-section of endohedral atoms A@CN. We took into account the polarizability of the fullerene electron shell CN that modifies the incoming photon beam and the one-electron wave functions of the caged atom A. We employ ... More
The virtual photon approximation for three-body interatomic Coulombic decayNov 23 2018Interatomic Coulombic decay (ICD) is a mechanism which allows microscopic objects to rapidly exchange energy. When the two objects are distant, the energy transfer between the donor and acceptor species takes place via the exchange of a virtual photon. ... More
(Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite TemperatureNov 11 2018Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far from satisfactory. To address this deficiency, we investigate gold nanoclusters ... More
Relative energetics of acetyl-histidine protomers with and without Zn2+ and a benchmark of energy methodsOct 24 2018We studied acetylhistidine (AcH), bare or microsolvated with a zinc cation by simulations in isolation. First, a global search for minima of the potential energy surface combining both, empirical and first-principles methods, is performed individually ... More
From planes to bowls: photodissociation of the bisanthenequinone cationSep 26 2018We present a combined experimental and theoretical study of the photodissociation of the bisanthenequinone (C28H12O2) cation, Bq+. The experiments show that, upon photolysis, the Bq+ cation does not dehydrogenate, but instead fragments through the sequential ... More
Efimov states of three unequal bosons in non-integer dimensionsSep 24 2018The Efimov effect for three bosons in three dimensions requires two infinitely large $s$-wave scattering lengths. We assume two identical particles with very large scattering lengths interacting with a third particle. We use a novel mathematical technique ... More
Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devicesSep 14 2018Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been largely neglected. In this work we investigate this issue in several systems ... More
Modeling near ground-state cooling of two-dimensional ion crystals in a Penning trap using electromagnetically induced transparencySep 14 2018Sep 18 2018Penning traps, with their ability to control planar crystals of tens to hundreds of ions, are versatile quantum simulators. Thermal occupations of the motional drumhead modes, transverse to the plane of the ion crystal, degrade the quality of quantum ... More
On the optimal basis set for electron dynamics in strong laser fields: The case of molecular ion H$^{+}_2$Sep 13 2018A clear understanding of the mechanisms that control the electron dynamics in strong laser field is still a challenge that requires to be interpreted by advanced theory. Development of accurate theoretical and computational methods, able to provide a ... More
Accurate Quantum Logic Gates by Spin Echo in Rydberg AtomsSep 05 2018Scalable quantum computing is based on realizable accurate quantum gates. For neutral atoms, it is an outstanding challenge to design a high-fidelity two-qubit entangling gate without resorting to difficult techniques like shaping laser pulses or cooling ... More
Impulsive laser-induced alignment of OCS molecules at FERMIAug 22 2018Aug 24 2018We demonstrate the experimental realization of impulsive alignment of carbonyl sulfide (OCS) molecules at the Low Density Matter Beamline (LDM) at the free-electron laser FERMI. OCS molecules in a molecular beam were impulsively aligned using 200 fs pulses ... More
Conical Intersections Induced by Quantum Light: Field-Dressed Spectra from the Weak to the Ultrastrong Coupling RegimesAug 14 2018A fundamental theoretical framework is formulated for the investigation of rovibronic spectra resulting from the coupling of molecules to one mode of the radiation field in an optical cavity. The approach involves the computation of (1) cavity-field-dressed ... More
Peculiar Behavior of Si Cluster Ions in Solid AlAug 08 2018A peculiar ion behavior is found in a Si cluster, moving with a speed of ~0.22c (c: speed of light) in a solid Al plasma: the Si ion, moving behind the forward moving Si ion closely in a several angstrom distance in the cluster, feels the wake field generated ... More
First principles electron-correlated calculations of linear optical absorption spectra in silicon hydrides : Si$_2$H$_{2n}$ ($n = 1-3$)Jul 30 2018We have performed the first principles electron-correlated calculations employing large basis sets to optimize the geometries, and to compute linear optical absorption spectra of various low-lying conformers of silicon hydrides: Si$_{2}$H$_{2n}$, $n=1,2,3$. ... More
Real-time dynamics of Auger wavepackets and decays in ultrafast charge migration processesJun 08 2018The Auger decay is a relevant recombination channel during the first few femtoseconds of molecular targets impinged by attosecond XUV or soft X-ray pulses. Including this mechanism in time--dependent simulations of charge--migration processes is a difficult ... More
Developing effective electronic-only coupled-cluster and Muller-Plesset perturbation theories for the muonic moleculesJun 04 2018Recently we have proposed an effective Hartree-Fock (EHF) theory for the electrons of the muonic molecules that is formally equivalent to the HF theory within the context of the Nuclear-Electronic Orbital theory [Phys. Chem. Chem. Phys. 20, 4466 (2018)]. ... More
Centre line intensity of a supersonic helium beamJun 01 2018Oct 05 2018Supersonic helium beams are used in a wide range of applications, for example surface scattering experiments and, most recently, microscopy. The high ionization potential of neutral helium atoms makes it difficult to build efficient detectors. Therefore, ... More
Long-term monitoring of the internal energy distribution of isolated cluster systemsMay 29 2018A method is presented to monitor the internal energy distribution of cluster anions via delayed electron detachment by pulsed photoexcitation and demonstrated on Co$_4{}^-$ in an electrostatic ion beam trap. In cryogenic operation, we calibrate the detachment ... More
Observation of vector and tensor light shifts in 87Rb using near-resonant, stimulated Raman spectroscopyMay 15 2018We present the derivation of the frequency dependent scalar, vector, and tensor dynamical polarizabilities for the two hyperfine levels of the 87Rb atom 5s ground state. Based on the characterization of the dynamical polarizabilities, we analyze and measure ... More
Terahertz streaking of few-femtosecond relativistic electron beamsMay 10 2018Streaking of photoelectrons with optical lasers has been widely used for temporal characterization of attosecond extreme ultraviolet pulses. Recently, this technique has been adapted to characterize femtosecond x-ray pulses in free-electron lasers with ... More
Observation of stable HO$_4$$^{+}$ and DO$_4$$^{+}$ ions from ion-molecule reactions in helium nanodropletsMay 02 2018Ion-molecule reactions between clusters of H$_2$/D$_2$ and O$_2$ in liquid helium nanodroplets were initiated by electron-induced ionization (at 70 eV). Reaction products were detected by mass spectrometry and can be explained by a primary reaction channel ... More
Nitrogen Cluster AnionsMay 02 2018Anions are formed by electron attachment to helium nanodroplets doped with N$_2$. The most prominent ion series is due to odd-numbered N$_m$$^{-}$ with 3 $\le$ m < 140. Neither N$^{-}$ nor N$_2$$^{-}$ are observed. An appearance energy of 11.5 $\pm$ 0.5 ... More
Cs$^{+}$ Solvated in Hydrogen - Evidence for Several Distinct Solvation ShellsMay 02 2018Helium nanodroplets are doped with cesium and molecular hydrogen and subsequently ionized by electrons. Mass spectra reveal H$_x$Cs$^{+}$ ions that contain as many as 130 hydrogen atoms. Two features in the spectra are striking: First, the abundance of ... More
First principles absorption spectra of Au nanoparticles: from quantum to classicalMay 01 2018Absorption cross-section spectra for gold nanoparticles were calculated using fully quantum Stochastic Density Functional Theory and a classical Finite-Difference Time Domain (FDTD) Maxwell solver. Spectral shifts were monitored as a function of size ... More
Calculating magnetic interactions in organic electridesApr 14 2018Jun 10 2018We present our calculation results for organic magnetic electrides. In order to identify the `cavity' electrons, we use maximally-localized Wannier functions and `empty atom' technique. The estimation of magnetic coupling is then performed based on magnetic ... More
Femtosecond photoexcitation dynamics inside a quantum solventApr 12 2018Oct 23 2018The observation of chemical reactions on the time scale of the motion of electrons and nuclei has been made possible by lasers with ever shortened pulse lengths. Superfluid helium represents a special solvent that permits the synthesis of novel classes ... More
Maximum spin polarization in chromium dimer cations as demonstrated by x-ray magnetic circular dichroism spectroscopyApr 11 2018X-ray magnetic circular dichroism spectroscopy has been used to characterize the electronic structure and magnetic moment of Cr$_2^+$. Our results indicate that the removal of a single electron from the $4s\sigma_g$ bonding orbital of Cr$_2$ drastically ... More
From quantum to classical dipole plasmon resonances in highly-doped nano-crystalsMar 25 2018Dipole plasmon resonances are ubiquitous in nano-particles with delocalized charge carriers. Doped semi-conductor colloidal nano-crystals constitute a novel paradigm for plasmon excitations in a finite electron system and offer the possibility to tune ... More
Inside a VAMDC data node - Putting standards into practical softwareMar 25 2018Access to molecular and atomic data is critical for many forms of remote sensing analysis across different fields. Many atomic and molecular databases are however highly specialized for their intended application, complicating querying and combination ... More
Effective electronic-only Kohn-Sham equations for the muonic moleculesMar 06 2018Mar 13 2018A set of effective electronic-only Kohn-Sham (EKS) equations are derived for the muonic molecules (containing a positively charged muon), which are completely equivalent to the coupled electronic-muonic Kohn-Sham equations derived previously within the ... More
Three-Dimensional Shapes of Spinning Helium NanodropletsFeb 28 2018Dec 21 2018A significant fraction of superfluid helium nanodroplets produced in a free-jet expansion have been observed to gain high angular momentum resulting in large centrifugal deformation. We measured single-shot diffraction patterns of individual rotating ... More
Enhancing radical molecular beams by skimmer coolingFeb 27 2018A high-intensity supersonic beam source has been a key component in studies of molecular collisions, molecule-surface interaction, chemical reactions, and precision spectroscopy. However, the molecular density available for experiments in a downstream ... More
General theory of photoexcitation induced photoelectron circular dichroismFeb 23 2018The photoionization of chiral molecules prepared in a coherent superposition of excited states can give access to the underlying chiral coherent dynamics in a procedure known as photoexcitation induced photoelectron circular dichroism (PXECD). This exclusive ... More
Setting the clock of photoelectron emission through molecular alignmentFeb 19 2018The interaction of strong laser fields with matter intrinsically provides powerful tools to image transient dynamics with an extremely high spatiotemporal resolution. In strong-field physics, the initial conditions of this interaction are generally considered ... More
Knife edge skimming for improved separation of molecular species by the deflectorFeb 12 2018Sep 03 2018A knife edge for shaping a molecular beam is described to improve the spatial separation of the species in a molecular beam by the electrostatic deflector. The spatial separation of different molecular species from each other as well as from atomic seed ... More
Photophysics of indole upon x-ray absorptionFeb 08 2018A photofragmentation study of gas-phase indole (C$_8$H$_7$N) upon single-photon ionization at a photon energy of 420 eV is presented. Indole was primarily inner-shell ionized at its nitrogen and carbon $1s$ orbitals. Electrons and ions were measured in ... More
Growing low-dimensional supramolecular crystals directly from 3D particlesFeb 06 2018We show that one-dimensional (1D) nanostructures and two-dimensional (2D) supramolecular crystals of organic semiconductors can be grown on substrates under ambient conditions directly from three-dimensional (3D) organic crystals. The approach does not ... More
First Principles Electronic Structure Study of B$_{12}$ Isomers: Jahn-Teller Distortion Flattens the Icosahedron into a DiscFeb 04 2018In this work we undertake a comprehensive numerical study of the ground state structures and optical absorption spectra of isomers of B$_{12}$ cluster. Geometry optimization was performed at the coupled-cluster-singles-doubles (CCSD) level of theory, ... More
From Sticky-Hard-Sphere to Lennard-Jones-Type ClustersJan 31 2018Feb 01 2018A relation $\mathcal{M}_{\mathrm{SHS}\to\mathrm{LJ}}$ between the set of non-isomorphic sticky hard sphere clusters $\mathcal{M}_\mathrm{SHS}$ and the sets of local energy minima $\mathcal{M}_{LJ}$ of the $(m,n)$-Lennard-Jones potential $V^\mathrm{LJ}_{mn}(r) ... More
Assessment of interaction-strength interpolation formulas for gold and silver clustersJan 30 2018The performance of functionals based on the idea of interpolating between the weak and the strong-interaction limits the global adiabatic-connection integrand is carefully studied for the challenging case of noble-metal clusters. Different interpolation ... More
Transport of secondary electrons through coatings of ion-irradiated metallic nanoparticlesJan 21 2018Feb 05 2018The transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a case study, we consider a poly(ethylene glycol)-coated gold nanoparticle of ... More
Transport of secondary electrons through coatings of ion-irradiated metallic nanoparticlesJan 21 2018Apr 19 2018The transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a case study, we consider a poly(ethylene glycol)-coated gold nanoparticle of ... More
The heteronuclear limit of strong-field ionization: HeH$^+$Jan 15 2018A sophisticated setup for measuring laser-induced fragmentation of an ion beam of helium hydride and an isotopologue at various wavelengths and intensities enables us to study the dynamics of this most fundamental polar molecule. In contrast to the prevailing ... More
Imaging the square of the correlated two-electron wave function of a hydrogen moleculeJan 11 2018The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive ... More
Friction Fluctuations of Gold Nanoparticles in the Superlubric RegimeJan 09 2018Superlubricity, or alternatively termed structural (super)lubrictiy, is a concept where ultra-low friction is expected at the interface between sliding surfaces if these surfaces are incommensurate and thus unable to interlock. In this work, we now report ... More
Electron affinities of water clusters from density-functional and many-body-perturbation theoryNov 29 2017In this work, we assess the accuracy of dielectric-dependent hybrid density functionals and many-body perturbation theory methods for the calculation of electron affinities of small water clusters, including hydrogen-bonded water dimer and water hexamer ... More
Development and characterization of a laser-induced acoustic desorption sourceOct 18 2017Feb 20 2018A laser-induced acoustic desorption source, developed for use at central facilities, such as free-electron lasers, is presented. It features prolonged measurement times and a fixed interaction point. A novel sample deposition method using aerosol spraying ... More
Multi-dimensional Tensor Network Simulation of Open Quantum Dynamics in Singlet FissionOct 03 2017We develop a powerful tree tensor network states method that is capable of simulating exciton-phonon quantum dynamics of larger molecular complexes and open quantum systems with multiple bosonic environments. We interface this method with ab initio density ... More
Fragmentation of Fullerenes to Linear Carbon ChainsSep 01 2017Small cationic fullerene fragments, produced by electron impact ionization of C60, were mass-selected and accumulated in cryogenic Ne matrixes. Optical absorption spectroscopy of these fragments with up to 18 carbon atoms revealed linear structures. Considering ... More
Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas PhaseAug 22 2017We investigate the peptide AcPheAla5LysH+, a model system for studying helix formation in the gas phase, in order to fully understand the forces that stabilize the helical structure. In particular, we address the question of whether the local fixation ... More
Probing the UV-Induced Photodissociation of CH$_\text{3}$I and C$_\text{6}$H$_\text{3}$F$_\text{2}$I with Femtosecond Time-Resolved Coulomb Explosion Imaging at FLASHAug 02 2017Jan 30 2018We explore time-resolved Coulomb explosion induced by intense, extreme ultraviolet (XUV) femtosecond pulses from the FLASH free-electron laser as a method to image photo-induced molecular dynamics in two molecules, iodomethane and 2,6-difluoroiodobenzene. ... More
Femtosecond X-ray Fourier holography imaging of free-flying nanoparticlesJul 28 2017Aug 09 2017Ultrafast X-ray imaging provides high resolution information on individual fragile specimens such as aerosols, metastable particles, superfluid quantum systems and live biospecimen, which is inaccessible with conventional imaging techniques. Coherent ... More
MicroED structure of Au146(p-MBA)57 at subatomic resolution reveals a twinned FCC clusterJun 24 2017Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. We report the structure of Au$_{\text{146}}$(p-MBA)$_{\text{57}}$ at subatomic resolution (0.85 {\AA}) using electron ... More
Correlation Energy of Proton-Neutron Subsystem in Valence OrbitJun 19 2017Deuteron correlation energy (DCE) of the valence proton-neutron subsystem is evaluated by utilizing a simple three-body model. We focus on the $^6$Li and $^{18}$F nuclei assuming the doubly-closed core and the valence proton and neutron. Two interaction ... More
Cluster size distributions in gas jets for different nozzle geometriesJun 14 2017Cluster size distributions were investigated in case of different nozzle geometries in argon and xenon using Rayleigh scattering diagnostics. Different nozzle geometries result in different behaviour, therefore both spatial- and temporal cluster size ... More
Doppler-free resolution near-infrared spectroscopy at 1.28~$μ$m with the noise-immune cavity-enhanced optical heterodyne molecular spectroscopy methodMay 15 2017We report on the Doppler-free saturation spectroscopy of the nitrous oxide (N$_2$O) overtone transition at 1.28~$\mu$m. This measurement is performed by the noise-immune cavity-enhanced optical heterodyne molecular spectroscopy (NICE-OHMS) technique based ... More
Ion-Induced Molecular Growth in Clusters of Small Hydrocarbon ChainsMay 12 2017We report on studies of collisions between 3 keV Ar$^+$ projectile ions and neutral targets of isolated 1,3-butadiene (C$_4$H$_6$) molecules and cold, loosely bound clusters of these molecules. We identify molecular growth processes within the molecular ... More
Strongly aligned molecules inside helium droplets in the near-adiabatic regimeApr 12 2017Iodine (I$_2$) molecules embedded in He nanodroplets are aligned by a 160 ps long laser pulse. The highest degree of alignment, occurring at the peak of the pulse and quantified by $\langle \cos^2 \theta_{2D} \rangle$, is measured as a function of the ... More
Photoinduced coherent acoustic phonon dynamics inside Mott insulator Sr2IrO4 films observed by femtosecond X-ray pulsesApr 06 2017We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 by femtosecond X-ray diffraction using a laser plasma-based X-ray source. Ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing ... More
Whispering gallery mode hybridization in photonic moleculesMar 04 2017This work takes inspiration from chemistry where the spectral characteristics of the molecules are determined by hybridization of electronic states evolving from the individual atomic orbitals. Based on analogy between quantum mechanics and the classical ... More
Diffractive molecular orbital tomographyMar 02 2017High harmonic generation in the interaction of femtosecond lasers with atoms and molecules opens the path to molecular orbital tomography and to probe the electronic dynamics with attosecond-{\AA}ngstr\"{o}m resolutions. Molecular orbital tomography requires ... More
The catalytic effect of water in basic hydrolysis of CO$_3{}^{2_-}$ in hydrated clustersFeb 10 2017The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affected by relative humidity. The hydrolysis of CO32- with n = 1-8 water molecules ... More
Laser-induced rotation of iodine molecules in He-nanodroplets: revivals and breaking-freeFeb 07 2017Rotation of molecules embedded in He nanodroplets is explored by a combination of fs laser-induced alignment experiments and angulon quasiparticle theory. We demonstrate that at low fluence of the fs alignment pulse, the molecule and its solvation shell ... More
A Carbon Dioxide Absorption System Driven by Water QuantityFeb 01 2017A novel system containing nanoporous materials and carbonate ions is proposed, which is capable to capture CO2 from ambient air simply by controlling the amount of water (humidity) in the system. The system absorbs CO2 from the air when the surrounding ... More
Forward-backward asymmetry of photoemission in C$_{60}$ excited by few-cycle laser pulsesJan 20 2017We theoretically analyze angle-resolved photo-electron spectra (ARPES) generated by the interaction of C$_{60}$ with intense, short laser pulses. In particular, we focus on the impact of the carrier-envelope phase (CEP) onto the angular distribution. ... More
Applications of nuclear physics to a wider context: from molecules to stars passing through hypernucleiJan 10 2017In this contribution I will review some of the researches that are currently being pursued in Padova (mainly within the In:Theory and Strength projects), focusing on the interdisciplinary applications of nuclear theory to several other branches of physics, ... More
Tracing transient charges in expanding clustersDec 15 2016Jun 02 2017We study transient charges formed in methane clusters following ionization by intense near-infrared laser pulses. Cluster ionization by 400 fs ($I=1 \times 10^{14}$ W/cm$^2$) pulses is highly efficient, resulting in the observation of a dominant C$^{3+}$ ... More
Electronic Non-adiabatic Dynamics in Enhanced Ionization of Isotopologues of H$_2^+$ from the Exact Factorization PerspectiveDec 01 2016It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H$_2^+$ can have large contributions arising from dynamical electron-nuclear correlation, going beyond what any electrostatics-based model can provide[1]. ... More
The effective electronic Hartree-Fock equations for the muonic molecules: Toward a muon-specific electronic structure theoryNov 23 2016In this communication, an effective set of the Hartree-Fock equations are derived only for electrons of the muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator. In these equations, a non-Coulombic ... More
Heterodyne-Detected Ultrafast X-Ray Diffraction and Scattering from Nonstationary StatesNov 21 2016Free-electron laser hard X-ray light sources can provide high fluence, femtosecond pulses, enabling the time-resolved probing of structural dynamics and elementary relaxation processes in molecules. Traditional X-ray elastic scattering from crystals in ... More
On Subthreshold Ionization of Helium Droplets, Ejection of He+, and the Role of AnionsNov 21 2016The mechanism of ionization of helium droplets has been investigated in numerous reports but one observation has not found a satisfactory explanation: How are $He^+$ ions formed and ejected from undoped droplets at electron energies below the ionization ... More
Energy loss spectroscopy of Buckminster C60 with twisted electrons: Influence of orbital angular momentum transfer on plasmon generationNov 11 2016Recent experimental progress in creating and controlling singular electron beams that carry orbital angular momentum allows for new types of local spectroscopies. We theoretically investigate the twisted-electron energy loss spectroscopy (EELS) from the ... More
Hydrogen bonds vs. $π$-stacking interactions in the p-aminophenol...p-cresol dimer: an experimental and theoretical studyNov 09 2016The gas phase structure and excited state lifetime of the p-aminophenol...p-cresol heterodimer have been investigated by REMPI and LIF spectroscopy with nanosecond laser pulses and pump-probe experiments with picosecond laser pulses as a model system ... More
Electronic structure contribution to hydrogen bonding interaction of a water dimerNov 07 2016Hydrogen bond (H-bond) covalency has recently been observed in ice and liquid water, while the penetrating molecular orbitals (MOs) in the H-bond region of most typical water dimer system, (H2O)2, have also been discovered. However, obtaining the quantitative ... More
A 3D printed beam splitter for polar neutral moleculesNov 07 2016We describe a beam splitter for polar neutral molecules. An electrostatic hexapole initially confines and guides a supersonic expansion of ammonia, and it then smoothly transforms into two bent quadrupole guides, thus splitting the molecular beam in two ... More
Diffractive imaging of transient electronic core-shell structures in a nanoplasmaNov 03 2016Oct 11 2017We have recorded the coherent diffraction images of individual xenon clusters with intense extreme ultraviolet pulses to elucidate the influence of light-induced electronic changes on the diffraction pattern. Using the FLASH free-electron laser we tuned ... More
Diffractive imaging of transient electronic core-shell structures in a nanoplasmaNov 03 2016We have recorded the coherent diffraction images of individual xenon clusters using intense extreme ultraviolet free-electron laser pulses tuned to atomic and ionic resonances in order to elucidate the influence of light induced electronic changes on ... More
Excitation of H$_{2}^{+}$ with one-cycle laser pulses: Shaped post-laser-field electronic oscillations, generation of higher- and lower-order harmonicsOct 29 2016Non Born-Oppenheimer quantum dynamics of H$_{2}^{+}$ excited by shaped one-cycle laser pulses linearly polarized along the molecular axis have been studied by the numerical solution of the time-dependent Schr\"odinger equation within a %three-body three-dimensional ... More
Density matrix based time-dependent configuration interaction approach to ultrafast spin-flip dynamicsOct 28 2016Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and ... More
Density matrix based time-dependent configuration interaction approach to ultrafast spin-flip dynamicsOct 28 2016Nov 01 2016Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and ... More
Optimized long-range corrected density functionals for electronic and optical properties of bare and ligated CdSe quantum dotsOct 25 2016The reliable prediction of optical and fundamental gaps of finite size systems using density functional theory requires to account for the potential self-interaction error, which is notorious for degrading the description of charge transfer transitions. ... More
Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectraOct 21 2016Recently we reported a series of numerical simulations proving that it is possible in principle to create an electronic wave packet and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few femtoseconds. We considered ... More
Coherent diffractive imaging of single helium nanodroplets with a high harmonic generation sourceOct 19 2016Coherent diffractive imaging of individual free nanoparticles has opened novel routes for the in-situ analysis of their transient structural, optical, and electronic properties. So far, single-particle diffraction was assumed to be feasible only at extreme ... More
Coherent diffractive imaging of single helium nanodroplets with a high harmonic generation sourceOct 19 2016Mar 15 2017Coherent diffractive imaging of individual free nanoparticles has opened novel routes for the in-situ analysis of their transient structural, optical, and electronic properties. So far, single-shot single-particle diffraction was assumed to be feasible ... More
Higher-order recoil corrections for triplet states of the helium atomOct 13 2016Nuclear recoil corrections of order $\alpha^6\,m^2/M$ are calculated for the lowest-lying triplet states of the helium atom. It improves the theoretical prediction for the isotope shift of the $2^3S-2^3P$ transition energy and influences the determination ... More