Latest in physics.atm-clus

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The most stable isomer of H$_2$C$_4$-(OCS)$_2$ van der Waals complex: Theory and experiment agree on a structure with C2 symmetryJul 12 2019We report the infrared spectrum of H$_2$C$_4$-(OCS)$_2$ trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode ... More
Photoemission from hybrid states of Cl@$C_{60}$ before and after a stabilizing charge transferJul 10 2019Photoionization calculations of the endofullerene molecule Cl@$C_{60}$ with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical jellium model. Cross sections for atom-fullerene hybrid ... More
Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionizationJul 06 2019Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned ... More
Electronic structure of 3$d$-transition-metal monoxide anions from $GW$ calculations: ScO$^{-}$, TiO$^{-}$, CuO$^{-}$, and ZnO$^{-}$Jul 04 2019The $GW$ approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis. However, the ... More
Molecular size effects on diffraction resonances in positronium formation from fullerenesJul 01 2019We previously predicted [P.A. Hervieux et al., Phys. Rev. A \textbf{95}, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C$_{60}$ acts like a spherical diffractor inducing resonances in the positronium ... More
Far-from-equilibrium dynamics of angular momentum in a quantum many-particle systemJun 28 2019We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced ... More
Far-from-equilibrium dynamics of angular momentum in a quantum many-particle systemJun 28 2019Jul 08 2019We use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium conditions. As an unexpected result, we observe pronounced ... More
Controlling Sub-Cycle Optical Chirality in the Photoionization of Chiral MoleculesJun 26 2019Jun 28 2019Controlling the polarization state of electromagnetic radiation enables the investigation of fundamental symmetry properties of matter through chiroptical processes. Many strategies have been developed to reveal structural or dynamical information about ... More
Controlling Sub-Cycle Optical Chirality in the Photoionization of Chiral MoleculesJun 26 2019Controlling the polarization state of electromagnetic radiation enables the investigation of fundamental symmetry properties of matter through chiroptical processes. Many strategies have been developed to reveal structural or dynamical information about ... More
Recovery of high-energy photoelectron circular dichroism through Fano interferenceJun 25 2019It is commonly accepted that the magnitude of a photoelectron circular dichroism (PECD) is governed by the ability of an outgoing photoelectron wave packet to probe the chiral asymmetry of a molecule. To be able to accumulate this characteristic asymmetry ... More
Relaxation dynamics and genuine properties of the solvated electron in neutral water clustersJun 20 2019Jun 21 2019We have investigated the solvation dynamics and the genuine binding energy and photoemission anisotropy of the solvated electron in neutral water clusters with a combination of time-resolved photoelectron velocity map imaging and electron scattering simulations. ... More
Relaxation dynamics and genuine properties of the solvated electron in neutral water clustersJun 20 2019We have investigated the solvation dynamics and the genuine binding energy and anisotropy parameter of the solvated electron in neutral water clusters with a combination of time-resolved photoelectron velocity map imaging and electron scattering simulations. ... More
Tracking Attosecond Electronic Coherences using Phase-Manipulated Extreme Ultraviolet PulsesJun 17 2019The recent development of novel extreme ultraviolet (XUV) coherent light sources bears great potential for a better understanding of the structure and dynamics of matter. Promising routes are advanced coherent control and nonlinear spectroscopy schemes ... More
Tracking Attosecond Electronic Coherences Using Phase-Manipulated Extreme Ultraviolet PulsesJun 17 2019Jun 26 2019The recent development of novel extreme ultraviolet (XUV) coherent light sources bears great potential for a better understanding of the structure and dynamics of matter. Promising routes are advanced coherent control and nonlinear spectroscopy schemes ... More
Fast reconstruction of single-shot wide-angle diffraction images through deep learningJun 17 2019Single-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most elegant method for characterizing their structure. ... More
Time delay of slow electrons-endohedral elastic scatteringJun 16 2019We discuss the temporal picture of electron collisions with fullerene. Within the framework of a Dirac bubble potential model for the fullerene shell, we calculate the time delay in slow-electron elastic scattering by it. It appeared that the time of ... More
Intershell correlations in endohedral atomsJun 16 2019We have calculated partial contributions of different endohedral and atomic subshells to the total dipole sum rule in the frame of the random phase approximation with exchange (RPAE) and found that they are essentially different from the numbers of electrons ... More
A Novel Discrete Theory of a Screw Dislocation in the BCC Crystal LatticeJun 11 2019In this paper, we proposed a novel method using the elementary number theory to investigate the discrete nature of the screw dislocations in crystal lattices, simple cubic (SC) lattice and body centered cubic (BCC) lattice, by developing the algebraic ... More
Generation and Characterization of Tailored MIR Waveforms for Steering Molecular DynamicsJun 08 2019The dream of physico-chemists to control molecular reactions with light beyond electronic excitations pushes the development of laser pulse shaping capabilities in the mid-infrared (MIR) spectral range. Here, we present a compact optical parametric amplifier ... More
The Ratio Law of the Structure Evolution and Stability for Ti$_n$O$_m$ ($n=3$-$18$, $m=1$-$2n$) ClustersJun 03 2019Most theoretical investigations about titanium oxide clusters focus on (TiO$_2$)$_n$. However, many Ti$_n$O$_m$ clusters with $m\neq 2n$ are produced experimentally. In this work, first-principles calculations are performed to probe the evolution of Ti$_n$O$_m$ ... More
Crystalline droplets with emergent topological color-charge in many-body systems with sign-changing interactionsMay 30 2019We introduce a novel type of self-bound droplet which carries an emergent color-charge. We consider a system of particles hopping on a lattice and interacting via a commensurately sign-changing potential which is attractive at short range. The droplet ... More
Dissociation dynamics in the dissociative electron attachment to ammonia moleculeMay 27 2019Complete dissociation dynamics of low energy electron attachment to ammonia molecule has been studied using velocity slice imaging (VSI) spectrometer. One low energy resonant peak around 5.5 eV and a broad resonance around 10.5 eV incident electron energy ... More
The water-carbon monoxide dimer: new infrared spectra, ab initio rovibrational energy level calculations, and an interesting intermolecular modeMay 26 2019Rovibrational energy level calculations using a high-level intermolecular potential surface are reported for H2O-CO and D2O-CO. They predict the ground K = 1 levels to lie about 20 (12) cm-1 above K = 0 for H2O-CO (D2O-CO) in good agreement with past ... More
Photoionization of Molecular EndohedralsMay 23 2019We calculate the photoionization cross-section of a molecular endohedral. We limit ourselves to two-atomic molecules. The consideration is much more complex than for atomic endohedrals because the system even for almost spherical fullerenes has only cylindrical ... More
Metrology of time-domain soft X-ray attosecond pulses and re-evaluation of pulse durations of three recent experimentsMay 23 2019Attosecond pulses in the soft-X-ray (SXR) to water-window energy region offer the tools for creating and studying target specific localized inner-shell electrons or holes in materials, enable monitoring or controlling charge and energy flows in a dynamic ... More
van der Waals density functional with corrected $C_6$ coefficientsMay 19 2019The non-local van der Waals density functional (vdW-DF) has had tremendous success since its inception in 2004 due to its constraint-based formalism that is rigorously derived from a many-body starting point. However, while vdW-DF can describe binding ... More
Coherent multidimensional spectroscopy in the gas phaseMay 15 2019Recent work applying multidimentional coherent electronic spectroscopy at dilute samples in the gas phase is reviewed. The development of refined phase-cycling approaches with improved sensitivity has opened-up new opportunities to probe even dilute gas-phase ... More
Solidification of Icosahedral Quasicrystals: Viewpoint Based on a Quaternion Orientational Order Parameter and the Formation of the E8 LatticeMay 14 2019In this article, the solidification phase transition between isotropic liquids and icosahedral quasicrystalline structures is classified by the application of a quaternion orientational order parameter. We suggest that the formation of the E8 lattice ... More
Reactive molecular dynamics simulations of organometallic compound W(CO)6 fragmentationMay 14 2019Irradiation- and collision-induced fragmentation studies provide information about geometry, electronic properties and interactions between structural units of various molecular systems. Such knowledge brings insights into irradiation-driven chemistry ... More
Ultrafast relaxation of photoexcited superfluid He nanodropletsMay 11 2019The relaxation of photoexcited nanosystems is a fundamental process of light-matter interaction. Depending on the couplings of the internal degrees of freedom, relaxation can be ultrafast, converting electronic energy in a few fs, or slow, if the energy ... More
Atomic-resolution imaging of carbonyl sulfide by laser-induced electron diffractionMay 09 2019Measurements on the strong-field ionization of carbonyl sulfide molecules by short, intense, 2~\um wavelength laser pulses are presented from experiments where angle-resolved photoelectron distributions were recorded with a high-energy velocity map imaging ... More
Proton-impact-induced electron emission from biologically relevant molecules studied with a screened independent atom modelMay 06 2019We use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including pyrimidines, purines, amino acids, and nucleotides from 10 ... More
Efficient computation of the second-Born self-energy using tensor-contraction operationsMay 03 2019In the nonequilibrium Green's function approach, the approximation of the correlation self-energy at the second-Born level is of particular interest, since it allows for a maximal speed-up in computational scaling when used together with the Generalized ... More
Bridging of liquid drops at chemically structured wallsMay 01 2019Using mesoscopic interfacial models and microscopic density functional theory we study fluid adsorption at a dry wall decorated with three completely wet stripes of width $L$ separated by distances $D_1$ and $D_2$. The stripes interact with the fluid ... More
Monopole polarization of C60 fullerene shell by an electric charge in its centerMay 01 2019The spatial distributions of electric charges forming the C60 shell have been analyzed with the Poisson equation. It has been shown that the modification of formulas for the rectangular-potential-well as a model potential of the C60 shell by means of ... More
Coherently driving a single quantum two-level system with dichromatic laser pulsesMay 01 2019Efficient excitation of a single two-level system usually requires that the driving field is at the same frequency as the atomic transition. However, the scattered laser light in solid-state implementations can dominate over the single photons, imposing ... More
An Improved Descriptor of Cluster Stability. Application to Small Carbon ClustersApr 25 2019The mass spectra of gas-phase clusters in cluster beams have a rich structure where the relative heights of the peaks compared to peaks corresponding to clusters of neighbor sizes reveal the stability of the clusters as a function of the size $N$. In ... More
Reliability of two Embedded Atom Models for the Description of Ag@Au NanoalloysApr 24 2019Apr 26 2019The validation of embedded atom models (EAM) for modelling nanoalloys requires to verify both a faithful description of the individual phases and a convincing scheme for the mixed interactions. In this work, we present a systematic benchmarking of two ... More
Reliability of two Embedded Atom Models for the Description of Au-Ag Nanoalloys: Supporting InformationApr 24 2019The validation of embedded atom models (EAM) for modelling nanoalloys requires to verify both a faithful description of the individual phases and a convincing scheme for the mixed interactions. In this work, we present a systematic benchmarking of two ... More
Pure Molecular Beam of Water DimerApr 18 2019Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with $93~\%$ purity and a rotational temperature of $1.5~$K was obtained. Following strong-field ionization ... More
Pure Molecular Beam of Water DimerApr 18 2019Jul 08 2019Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with $93~\%$ purity and a rotational temperature of $1.5~$K was obtained. Following strong-field ionization ... More
Pure Molecular Beam of Water DimerApr 18 2019Apr 19 2019Spatial separation of water dimer from water monomer and larger water-clusters through the electric deflector is presented. A beam of water dimer with $93~\%$ purity and a rotational temperature of $1.5~$K was obtained. Following strong-field ionization ... More
Time-resolved Spectroscopy of Interparticle Coulombic Decay ProcessesApr 11 2019Interparticle Coulombic Decay (ICD) processes are electronic decay processes initiated by inner valence shell excitation or ionization of weakly interacting systems including solvents, biomolecules and quantum dots in semiconductors. We report theory ... More
Time-resolved Spectroscopy of Interparticle Coulombic Decay ProcessesApr 11 2019Apr 12 2019We report theory for time-resolved spectator resonant Interparticle Coulombic Decay (ICD) processes. Following excitation by a short XUV pulse, the spectrum of the resonant ICD electron develops. Strong-field ionization quenches the decay at different ... More
Quantum entanglement between two magnon modes via Kerr nonlinearityApr 08 2019We propose a scheme to entangle two magnon modes via Kerr nonlinear effect when driving the systems far-from-equilibrium. We consider two macroscopic yttrium iron garnets (YIGs) interacting with a single-mode microcavity through the magnetic dipole coupling. ... More
A tight-binding model for the excitonic band structure of a one-dimensional molecular chain: UV-Vis spectra, Zak phase and topological propertiesApr 03 2019Recently organic optics becomes a hot topic due to the rapid development of organic light-emitting diodes, organic solar cells, and organic photon detectors. The optical spectra of the molecular semiconductors are difficult to solve an model from first-principles ... More
Universal Three-Body Parameter of Heavy-Heavy-Light systems with negative intraspecies scattering lengthMar 22 2019The Three-Body Parameter(3BP) $a^{\scriptscriptstyle(1)}_{\scriptscriptstyle-}$ is crucial to understanding Efimov physics, and a universal 3BP has been shown in experiments and theory in ultracold homonuclear gases. The 3BP of heteronuclear systems was ... More
Universal Three-Body Parameter of Heavy-Heavy-Light systems with negative intraspecies scattering lengthMar 22 2019May 05 2019The Three-Body Parameter(3BP) $a^{\scriptscriptstyle(1)}_{\scriptscriptstyle-}$ is crucial to understanding Efimov physics, and a universal 3BP has been shown in experiments and theory in ultracold homonuclear gases. The 3BP of heteronuclear systems was ... More
The CO2-broadened H2O continuum in the 100-1500 cm-1 region. Measurements, predictions and empirical modelMar 21 2019Transmission spectra of H$_2$O+CO$_2$ mixtures have been recorded, at 296, 325 and 366 K, for various pressures and mixture compositions using two experimental setups. Their analysis enables to retrieve values of the 'continuum' absorption by the CO$_2$-broadened ... More
Embedding nuclear physics inside the unitary windowMar 21 2019The large values of the singlet and triplet scattering lengths locate the two-nucleon system close to the unitary limit, the limit in which these two values diverge. As a consequence, the system shows a continuous scale invariance which strongly constrains ... More
Single-atom control of the optoelectronic response in sub-nanometric cavitiesMar 20 2019By means of ab-initio time dependent density functional theory calculations carried out on an prototypical hybrid plasmonic device (two metallic nanoparticles bridged by a one-atom junction), we demonstrate the strong interplay between photoinduced excitation ... More
User Manual for MOLSCAT, BOUND and FIELD: programs for quantum scattering properties and bound states of interacting pairs of atoms and moleculesMar 15 2019MOLSCAT is a general-purpose package for performing non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods. Simple atom-molecule and molecule-molecule collision types are coded internally and additional ... More
Spectra of the D2O dimer in the O-D fundamental stretch region: vibrational dependence of tunneling splittings and lifetimesMar 15 2019The fundamental O-D stretch region (2600 - 2800 cm-1) of the fully deuterated water dimer, (D2O)2, is studied using a pulsed supersonic slit jet source and a tunable optical parametric oscillator source. Relatively high spectral resolution (0.002 cm-1) ... More
Magnetic excitations in the trimeric compounds A$_3$Cu$_3$(PO$_4$)$_4$ (A = Ca, Sr, Pb)Mar 11 2019We study the magnetic excitations of the trimeric magnetic compounds A$_3$Cu$_3$(PO$_4$)$_4$ (A = Ca, Sr, Pb). The spectra are analyzed in terms of the Heisenberg model and a generic spin Hamiltonian that accounts for the changes in valence electrons ... More
Ultra-fast Anisotropy Control in Photoelectron Spectra: A Two-Pulse StrategyMar 11 2019Coherence among rotational ion channels during photoionization is exploited to control the anisotropy of the resulting photoelectron angular distributions. The strategy refers to a robust and single parameter control using two ultra-short light pulses ... More
ZMP-SAPT: DFT-SAPT using ab initio DensitiesMar 08 2019Symmetry Adapted Perturbation Theory (SAPT) has become an important tool when predicting and analyzing intermolecular interactions. Unfortunately, DFT-SAPT, which uses Density Functional Theory (DFT) for the underlying monomers, has some arbitrariness ... More
Deep neural networks for classifying complex features in diffraction imagesMar 07 2019Jun 23 2019Intense short-wavelength pulses from free-electron lasers and high-harmonic-generation sources enable diffractive imaging of individual nano-sized objects with a single x-ray laser shot. The enormous data sets with up to several million diffraction patterns ... More
Deep neural networks for classifying complex features in diffraction imagesMar 07 2019Intense short-wavelength pulses from free-electron lasers and high-harmonic-generation sources enable diffractive imaging of individual nano-sized objects with a single x-ray laser shot. The enormous data sets with up to several million diffraction patterns ... More
Deep neural networks for classifying complex features in diffraction imagesMar 07 2019Mar 12 2019Intense short-wavelength pulses from free-electron lasers and high-harmonic-generation sources enable diffractive imaging of individual nano-sized objects with a single x-ray laser shot. The enormous data sets with up to several million diffraction patterns ... More
Deep neural networks for classifying complex features in diffraction imagesMar 07 2019Mar 13 2019Intense short-wavelength pulses from free-electron lasers and high-harmonic-generation sources enable diffractive imaging of individual nano-sized objects with a single x-ray laser shot. The enormous data sets with up to several million diffraction patterns ... More
Interactions of benzene, naphthalene, and azulene with alkali-metal and alkaline-earth-metal atoms for ultracold studiesMar 04 2019Jun 26 2019We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal ... More
Interactions of benzene, naphthalene, and azulene with alkali-metal and alkaline-earth-metal atoms for ultracold studiesMar 04 2019We consider collisional studies of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal ... More
Stretched or noded orbital densities and self-interaction correction in density functional theoryMar 02 2019Apr 03 2019Semi-local approximations to the density functional for the exchange-correlation energy of a many-electron system necessarily fail for lobed one-electron densities, including not only the familiar stretched densities but also the less familiar but closely-related ... More
Stretched or noded orbital densities and self-interaction correction in density functional theoryMar 02 2019Semi-local approximations to the density functional for the exchange-correlation energy of a many-electron system necessarily fail for lobed one-electron densities, including not only the familiar stretched densities but also the less familiar but closely-related ... More
Observation of highly dispersive bands in pure thin film C$_{60}$Feb 27 2019While long-theorized, the direct observation of multiple highly dispersive C$_{60}$ valence bands has eluded researchers for more than two decades due to a variety of intrinsic and extrinsic factors. Here we report a realization of multiple highly dispersive ... More
Time-resolved observation of interatomic Coulombic decay induced by two-photon double excitation of Ne$_{2}$Feb 26 2019The hitherto unexplored two-photon doubly-excited states [Ne$^{*}$($2p^{-1}3s$)]$_{2}$ were experimentally identified using the seeded, fully coherent, intense extreme ultraviolet free-electron laser FERMI. These states undergo ultrafast interatomic Coulombic ... More
Simulating the structural diversity of carbon clusters across the planar to fullerene transitionFeb 25 2019Mar 19 2019Together with the second generation REBO reactive potential, replica-exchange molecular dynamics simulations coupled with systematic quenching were used to generate a broad set of isomers for neutral C$_n$ clusters with $n=24$, 42, and 60. All the minima ... More
Simulating the structural diversity of carbon clusters across the planar to fullerene transitionFeb 25 2019Together with the second generation REBO reactive potential, replica-exchange molecular dynamics simulations coupled with systematic quenching were used to generate a broad set of isomers for neutral C$_n$ clusters with $n=24$, 42, and 60. All the minima ... More
Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether ClustersFeb 25 2019Photoelectron velocity map imaging of Li(CH$_3$OCH$_3$)$_n$ clusters (1 $\leq$ n $\leq$ 175) is used to search for magic numbers related to the photoelectron anisotropy. Comparison with density functional calculations reveals magic numbers at n=4, 5, ... More
Prediction of activation energy barrier of island diffusion processes using data-driven approachesFeb 22 2019We present models for prediction of activation energy barrier of diffusion process of adatom (1-4) islands obtained by using data-driven techniques. A set of easily accessible features, geometric and energetic, that are extracted by analyzing the variation ... More
Prediction of activation energy barrier of island diffusion processes using data-driven approachesFeb 22 2019Apr 11 2019We present models for prediction of activation energy barrier of diffusion process of adatom (1-4) islands obtained by using data-driven techniques. A set of easily accessible features, geometric and energetic, that are extracted by analyzing the variation ... More
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
Monopole polarization of C60 fullerene shellJan 13 2019We analyze using Poisson equation the spatial distributions of the positive charge of carbon atomic nuclei shell and negative charge of electron clouds forming the electrostatic potential of the C60 fullerene shell as a whole. We consider also the case ... More
Efimov universality with Coulomb interactionJan 11 2019Jun 06 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
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
A Versatile Velocity Map Ion-Electron Covariance Imaging Spectrometer for High-Intensity XUV ExperimentsJan 10 2019We report on the design and performance of a velocity map imaging (VMI) spectrometer optimized for experiments using high-intensity extreme ultraviolet (XUV) sources such as laser-driven high-order harmonic generation (HHG) sources and free-electron lasers ... 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
Few-body quantum method in a $d$-dimensional spaceJan 09 2019Apr 04 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
Collisions of self-bound quantum dropletsDec 21 2018We report on the study of binary collisions between quantum droplets formed by an attractive mixture of ultracold atoms. We distinguish two main outcomes of the collision, i.e. merging and separation, depending on the velocity of the colliding pair. The ... 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
The Diamine Cation Is Not a Chemical Example Where Density Functional Theory FailsDec 20 2018In a recent communication, Weber and co-workers presented a surprising study on charge-localization effects in the N,N'-dimethylpiperazine (DMP+) diamine cation to provide a stringent test of density functional theory (DFT) methods. Within their study, ... More
Analysing the anisotropy in morphological evolution and readjustment effects in cluster-cluster aggregation of AuNPs using Shannon entropyDec 20 2018We have used information theory analogue of entropy, Shannon entropy, for estimating the variations during the isotropic and anisotropic AuNP fractal growth process. We have firstly applied the Shannon entropy on the simulated fractal aggregates obtained ... 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 2018May 14 2019We 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
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
The N2O-CS2 dimer is cross-shapedDec 14 2018The infrared spectrum of the cross-shaped van der Waals complex N2O-CS2 is observed in the region of the N2O nu1 fundamental band (~2220 cm-1) using a tuneable diode laser to probe a pulsed supersonic slit jet expansion. Both 14N- and 15N-substituted ... 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
BOUND and FIELD: programs for calculating bound states of interacting pairs of atoms and moleculesNov 22 2018Mar 14 2019The BOUND program calculates the bound states of a complex formed from two interacting particles using coupled-channel methods. It is particularly suitable for the bound states of atom-molecule and molecule-molecule Van der Waals complexes and for the ... More
Ultrafast Structural Dynamics of Photo-Reactions Revealed by Model-Independent X-ray Cross-Correlation AnalysisNov 19 2018We applied angular X-ray Cross-Correlation analysis (XCCA) to scattering images from a femtosecond resolution LCLS X-ray free-electron laser (XFEL) pump-probe experiment with solvated PtPOP ([Pt$_2$(P$_2$O$_5$H$_2$)$_4$]$^{4-}$) metal complex molecules. ... More
Measures of electronic-vibrational entanglement and quantum coherence in a molecular systemNov 19 2018We characterize both entanglement and quantum coherence in a molecular system by connecting the linear entropy of electronic-nuclear entanglement with Wigner-Yanase skew information measuring vibronic coherence and local quantum uncertainty on electronic ... More