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Ionization dynamics of C2H2 in intense laser fields: Time-dependent Hartree-Fock approach

Physical Review A 2015年第5期92卷 053409-053409页

作者： Shi-Lin Hu Zeng-Xiu Zhao Jing Chen Ting-Yun Shi Institute of Applied Physics and computational Mathematics P.O. Box 8009 Beijing 100088 China State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and Mathematics Chinese Academy of Sciences Wuhan 430071 China Department of Physics National University of Defense Technology Changsha 410073 China HEDPS Center for Applied Physics and Technology Peking University Beijing 100084 China

We investigate the multielectron ionization dynamics of C2H2 subjected to intense few-cycle laser fields with the time-dependent Hartree-Fock approach, in which one-center method is employed with the finite-element discrete-variable representation and B-spline functions. It is found that, when the photon energy is close to the energy gap between the two inner orbitals, an inner-orbital single-photon resonant transition phenomenon occurs and plays an important role in the ionization process of the molecule. Furthermore, the ionization of inner electrons surpasses that of the electrons in the highest occupied molecular orbital (HOMO) at high laser intensities, which may be attributed to the effect of the spatial distributions of molecular orbitals. Moreover, this phenomenon will be enhanced by a reduction of the screen for electrons in the HOMO due to the ionization of inner electrons.

关键词： RESEARCH Finite element method Energy gaps (physics) Electrons Hartree-Fock approximation Molecular orbitals

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Probing dynamic interference in high-order harmonic generation from long-range molecular ion:Bohmian trajectory investigation

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Chinese physics B 2014年第5期23卷 233-237页

作者：王俊王兵兵郭福明李苏宇丁大军陈基根曾思良杨玉军 Institute of Atomic and Molecular Physics Jilin University Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of Sciences Department of Physics and Materials Engineering Taizhou University Science and Technology Computation Physics Laboratory Institute of Applied Physics and Computational Mathematics Data Center for High Energy Density Physics Institute of Applied Physics and Computational Mathematics

Using Bohmlan trajectory （151） method, we investigate the dynamic interference in nlgn-orcter narmonlc generauon from diatomic molecular ions. It is demonstrated that the main characteristics of the molecular harmonic spectrum can be well reproduced by only two BTs which are located at the two ions. This haiapens because these two localized trajectories can receive and store the whole collision information coming from all of the other re-collision trajectories. Therefore, the amplitudes and frequencies of these two trajectories represent the intensity and frequency distribution of the harmonic generation. Moreover, the interference between these two trajectories shows a dip in the harmonic spectrum, which reveals the molecular structure information.

关键词： Bohmian trajectory molecular high-order harmonic generation dynamic interference

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Systematic calculations of energy levels and transition rates of Be-like ions with Z=10-30

Systematic calculations of energy levels and transition rate...

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第十八届全国原子与分子物理学术会议

作者： Kai Wang Jun Yan Hai-Tong Liu Da-Fang Li Fei-Yun Long Xue-Ling Guo Chong-Yang Chen Jiao-Long Zeng Department of Applied Physics National University of Defense TechnologyChangsha 410073China Applied Ion Beam Physics Laboratory Fudan UniversityKey Laboratory of the Ministry of EducationChina Institute of Applied Physics and Computational Mathematics Beijing100088China

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Attosecond XUV absorption spectroscopy of doubly excited states in helium atoms dressed by a time-delayed femtosecond infrared laser

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Physical Review A 2015年第1期91卷 013414-013414页

作者： Z. Q. Yang D. F. Ye Thomas Ding Thomas Pfeifer L. B. Fu School of Physics Beijing Institute of Technology Beijing 100081 China National Key Laboratory of Science and Technology on Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100088 China Key Laboratory of Ecophysics and Department of Physics College of Science Shihezi University Shihezi 832003 China Max-Planck-Institut für Kernphysik 69117 Heidelberg Germany

In the present paper, we investigate the time-resolved transient absorption spectroscopy of doubly excited states of helium atoms by solving the time-dependent two-electron Schrödinger equation numerically based on a one-dimensional model. The helium atoms are subjected to an extreme ultraviolet (XUV) attosecond pulse and a time-delayed infrared (IR) few-cycle laser pulse. A superposition of doubly excited states populated by the XUV pulse is identified, which interferes with the direct ionization pathway leading to Fano resonance profiles in the photoabsorption spectrum. In the presence of an IR laser, however, the Fano line profiles are strongly modified: A shifting, splitting, and broadening of the original absorption lines is observed when the XUV attosecond pulse and infrared few-cycle laser pulse overlap in time, which is in good agreement with recent experimental results. At certain time delays, we observe symmetric Lorentz, inverted Fano profiles, and even negative absorption cross sections indicating that the XUV light can be amplified during the interaction with atoms. We further prove that the above pictures are general for different doubly excited states by suitably varying the frequency of the IR field to coherently couple the corresponding states.

关键词： HELIUM atom ABSORPTION spectra MOLECULAR spectroscopy EXCITED states FEMTOSECOND lasers SCHRODINGER equation LASER pulses INFRARED lasers

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Diagnosing hyperuniformity in two-dimensional, disordered, jammed packings of soft spheres

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Physical Review E 2015年第1期91卷 012302-012302页

作者： Remi Dreyfus Ye Xu Tim Still L. A. Hough A. G. Yodh Salvatore Torquato Complex Assemblies of Soft Matter CNRS-Rhodia-UPenn UMI 3254 Bristol Pennsylvania 19007-3624 USA Department of Physics and Astronomy University of Pennsylvania Philadelphia Pennsylvania 19104-6396 USA Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Hyperuniformity characterizes a state of matter for which (scaled) density fluctuations diminish towards zero at the largest length scales. However, the task of determining whether or not an image of an experimental system is hyperuniform is experimentally challenging due to finite-resolution, noise, and sample-size effects that influence characterization measurements. Here we explore these issues, employing video optical microscopy to study hyperuniformity phenomena in disordered two-dimensional jammed packings of soft spheres. Using a combination of experiment and simulation we characterize the possible adverse effects of particle polydispersity, image noise, and finite-size effects on the assignment of hyperuniformity, and we develop a methodology that permits improved diagnosis of hyperuniformity from real-space measurements. The key to this improvement is a simple packing reconstruction algorithm that incorporates particle polydispersity to minimize the free volume. In addition, simulations show that hyperuniformity in finite-sized samples can be ascertained more accurately in direct space than in reciprocal space. Finally, our experimental colloidal packings of soft polymeric spheres are shown to be effectively hyperuniform.

关键词： COLLOIDS FOURIER transforms SPECTRAL energy distribution MICROGELS MICROSCOPY

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Thomas and Lindner Reply:

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Physical Review Letters 2015年第6期115卷 069402-069402页

作者： Peter J. Thomas Benjamin Lindner Department of Mathematics Applied Mathematics and Statistics. Case Western Reserve University Cleveland Ohio 44106 USA Bernstein Center for Computational Neuroscience 10115 Berlin Germany Department of Physics. Humboldt University 12489 Berlin Germany

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About development of numerical methods of analysis of spatial plate-shell reinforced concrete structures with allowance for non-linearities

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IOP Conference Series: Materials Science and Engineering 2018年第1期456卷

作者： A M Belostosky N I Karpenko P A Akimov V N Sidorov S N Karpenko A N Petrov T B Kaytukov V A Kharitonov Research & Development Centre StaDyO office 810 18 3ya UlitsaYamskogoPolya Moscow 125040 Russia Department of Structures Buildings and Facilities Russian University of Transport» (RUT –MIIT) 9b9 Obrazcova Street Noscow 127994 Russia Tomsk State University of Architecture and Building 2 Solyanaya sq. Tomsk 634003 Russia Department of Architecture and Civil Engineering Peoples' Friendship University of Russia 6 Miklukho-Maklaya str. Moscow 117198 Russia Department of Building Constructions and Computational Mechanics Perm National Research Polytechnic University 29 Komsomolskyprospekt Perm 614990 Russia Russian Academy of Architecture and Construction Sciences 24 ul. BolshayaDmitrovka Moscow 107031 Russia Research Institute of Building Physics of the Russian Academy of Architecture and Construction Sciences 21 Lokomotivny pr. Moscow 127238 Russia Department of Mechanics Metal Structures and Computer Methods Kielce University of Technology 7 al. TysiącleciaPanstwaPolskiego Kielce 25–314 Poland Department of Technology and Organization of Construction Petrozavodsk State University 33 Lenin Str. Petrozavodsk Republic of Karelia 185910 Russia Central Institute for Research and Design of the Ministry of Construction and Housing and Communal Services of the Russian Federation 29 Pr. Vernadskogo Moscow 119331 Russia Department of Applied Mathematics National Research Moscow State University of Civil Engineering 26 YaroslavskoeShosse Moscow 129337 Russia

The distinctive paper is devoted to development of numerical methods of spatial plate-shell reinforced concrete structures analysis with allowance for non-linearities. Immediacy of the problem and its contemporary state (within Russia and without) are presented. Particularly types of diagrams for reinforced concrete structures modeling, construction of reinforced concrete general deformation models, strength criteria for reinforced concrete structures and methods of structural analysis, main objectives and scientific novelty of study, its theoretical and practical relevance are under consideration.

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Many-body effects on Cr(001) surfaces: An LDA+DMFT study

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Physical Review B 2016年第19期93卷 195115-195115页

作者： M. Schüler S. Barthel M. Karolak A. I. Poteryaev A. I. Lichtenstein M. I. Katsnelson G. Sangiovanni T. O. Wehling Institut für Theoretische Physik Universität Bremen Germany Bremen Center for Computational Materials Science Universität Bremen Germany Institut für Theoretische Physik und Astrophysik Universität Würzburg Germany M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences Ekaterinburg Russia Institute of Quantum Materials Science Ekaterinburg Russia Institut für Theoretische Physik Universität Hamburg Germany Theoretical Physics and Applied Mathematics Department Ural Federal University Ekaterinburg Russia Radboud University of Nijmegen Institute for Molecules and Materials The Netherlands

The electronic structure of the Cr(001) surface with its sharp resonance at the Fermi level is a subject of controversial debate of many experimental and theoretical works. To date, it is unclear whether the origin of this resonance is an orbital Kondo or an electron-phonon coupling effect. We have combined ab initio density functional calculations with dynamical mean-field simulations to calculate the orbitally resolved spectral function of the Cr(001) surface. The calculated orbital character and shape of the spectrum is in agreement with data from (inverse) photoemission experiments. We find that dynamic electron correlations crucially influence the surface electronic structure and lead to a low energy resonance in the dz2 and dxz/yz orbitals. Our results help to reconvene controversial experimental results from (I)PES and STM measurements.

关键词： Electronic structure Surfaces DFT+DMFT Electron-correlation calculations

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Characterization of symmetry-protected topological phases in polymerized models by trajectories of Majorana stars

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Physical Review B 2015年第12期91卷 125132-125132页

作者： Chao Yang Huaiming Guo Li-Bin Fu Shu Chen Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China Department of Physics Beihang University Beijing 100191 China National Laboratory of Science and Technology on Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100088 China Collaborative Innovation Center of Quantum Matter Beijing China

By using Majorana's stellar representation, we give a clear geometrical interpretation of the topological phases of inversion-symmetric polymerized models by mapping the Bloch states of multiband systems to Majorana stars on the Bloch sphere. While trajectories of Majorana stars of a filled Bloch band exhibit quite different geometrical structures for topologically trivial and nontrivial phases, we further demonstrate that these structures are uniquely determined by distributions of Majorana stars of two high-symmetrical momentum states, which have different parities for topologically different states.

关键词： SYMMETRY (physics) POLYMERIZATION TRAJECTORIES (Mechanics) MAJORANA fermions PHASE transformations (physics) DISTRIBUTION (Probability theory)

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Unified calculation of generalized oscillator strength of argon ranging from bound to continuum states

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Physical Review A 2015年第5期92卷 052712-052712页

作者： Xiang Gao Rui Jin De-Ling Zeng Xiao-Ying Han Jun Yan Jia-Ming Li Beijing Computational Science Research Center Beijing 100094 China Department of Physics and Center for Atomic and Molecular Nanosciences Tsinghua University Beijing 100084 China Key Laboratory for Laser Plasmas (Ministry of Education) and Department of Physics and Astronomy Shanghai Jiao Tong University Shanghai 200240 China Institute of Applied Physics and Computational Mathematics Beijing 100088 China Collaborative Innovation Center of Quantum Matter Beijing 100084 China

The electron and photon scattering data of an atom are crucial for many scientific fields, including plasma physics, astrophysics, and so on. For high enough but nonrelativistic incident energies, the first Born approximation is applicable for calculating these data, in which the key physics quantity is the generalized oscillator strength (GOS). In high-energy electron impact excitation processes, atoms will be excited into various excited states including strongly perturbed Rydberg and adjacent continuum states. How to calculate these quantities of a nontrivial many-electron atom rapidly and accurately is still a great challenge. Based on our eigenchannel R-matrix method R-eigen, we further extend it to calculate the GOS of a whole channel in an atom, which includes all Rydberg and adjacent continuum states. The Jπ=1− states of argon are chosen as an illustrating example. The calculation results are in good agreement with the available benchmark absolute experimental measurements. The calculated eigenchannel GOS matrix elements are smooth functions of the excitation energy and momentum transfer. From such smooth eigenchannel GOS matrix elements, we can obtain the GOS of any specific excited state through multichannel quantum defect theory, e.g., infinite Rydberg (including a strongly perturbed one), autoionization, and continuum states.

关键词： ELECTRON scattering RESEARCH PHOTON scattering AUGER effect QUANTUM defect theory RYDBERG states

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