相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Time-dependent ab initio approaches for high-harmonic generation spectroscopy
Emanuele Coccia et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2022)
Role of exchange and correlation in high-harmonic generation spectra of H2, N2, and CO2: Real-time time-dependent electronic-structure approaches
Carlo Federico Pauletti et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
A systematic construction of Gaussian basis sets for the description of laser field ionization and high-harmonic generation
Aleksander P. Wozniak et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Time-dependent optimized coupled-cluster method for multielectron dynamics. IV. Approximate consideration of the triple excitation amplitudes
Himadri Pathak et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Probing the molecular frame of uracil and thymine with high-harmonic generation spectroscopy
Eleonora Luppi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
QPROP with faster calculation of photoelectron spectra
Vasily Tulsky et al.
COMPUTER PHYSICS COMMUNICATIONS (2020)
Angular dependence of strong field sequential double ionization for neon and acetylene simulated with time-dependent configuration interaction using CIS and CISD-IP
Mi Kyung Lee et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses
Hakon Emil Kristiansen et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Time-dependent optimized coupled-cluster method for multielectron dynamics. II. A coupled electron-pair approximation
Himadri Pathak et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
How electronic dephasing affects the high-harmonic generation in atoms
E. Coccia
MOLECULAR PHYSICS (2020)
Time-dependent optimized coupled-cluster method for multielectron dynamics. III. A second-order many-body perturbation approximation
Himadri Pathak et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Multidimensional molecular high-harmonic spectroscopy: A road map for charge migration studies
Daniel R. Tuthill et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2020)
Single-active electron calculations of high-order harmonic generation from valence shells in atoms for quantitative comparison with TDDFT calculations
R. Reiff et al.
JOURNAL OF PHYSICS COMMUNICATIONS (2020)
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
Thomas Bondo Pedersen et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Discriminating organic isomers by high harmonic generation: A time-dependent configuration interaction singles study
Florian Bedurke et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Symphony on strong field approximation
Kasra Amini et al.
REPORTS ON PROGRESS IN PHYSICS (2019)
Detecting the minimum in argon high-harmonic generation spectrum using Gaussian basis sets
Emanuele Coccia et al.
THEORETICAL CHEMISTRY ACCOUNTS (2019)
Real-time probing of chirality during a chemical reaction
Denitsa Baykusheva et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2019)
Electron correlation driven non-adiabatic relaxation in molecules excited by an ultrashort extreme ultraviolet pulse
A. Marciniak et al.
NATURE COMMUNICATIONS (2019)
Attosecond imaging of molecules using high harmonic spectroscopy
Peng Peng et al.
NATURE REVIEWS PHYSICS (2019)
High order harmonic generation in solids: a review on recent numerical methods
Chao Yu et al.
ADVANCES IN PHYSICS-X (2019)
Real-time time-dependent electronic structure theory
Joshua J. Goings et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
C. D. Pemmaraju et al.
COMPUTER PHYSICS COMMUNICATIONS (2018)
Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics
Takeshi Sato et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics
Angela Parise et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Multi-channel dynamics in high harmonic generation of aligned CO2: ab initio analysis with time-dependent B-spline algebraic diagrammatic construction
M. Ruberti et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Gauge-Invariant Formulation of Time-Dependent Configuration Interaction Singles Method
Takeshi Sato et al.
APPLIED SCIENCES-BASEL (2018)
Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H2+
Marie Labeye et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Retardation in electron dynamics simulations based on time-dependent density functional theory
Xiaojing Wu et al.
EUROPEAN PHYSICAL JOURNAL D (2018)
Attosecond correlation dynamics
M. Ossiander et al.
NATURE PHYSICS (2017)
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
Emanuele Coccia et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations
Tuomas P. Rossi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Simulating Electron Dynamics in Polarizable Environments
Xiaojing Wu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Impact of intense laser pulses on the autoionization dynamics of the 2s2p doubly excited state of He
Anton N. Artemyev et al.
PHYSICAL REVIEW A (2017)
Time dependent DFT in natural orbitals
M. Vincendon et al.
COMPUTATIONAL MATERIALS SCIENCE (2017)
Attosecond Electron Dynamics in Molecules
Mauro Nisoli et al.
CHEMICAL REVIEWS (2017)
Impact of two-electron dynamics and correlations on high-order-harmonic generation in He
Anton N. Artemyev et al.
PHYSICAL REVIEW A (2017)
Computation of high-harmonic generation spectra of the hydrogen molecule using time-dependent configuration-interaction
Alec F. White et al.
MOLECULAR PHYSICS (2016)
Gaussian continuum basis functions for calculating high-harmonic generation spectra
Emanuele Coccia et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
Electron dynamics with real-time time-dependent density functional theory
Makenzie R. Provorse et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory
Adonay Sissay et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment
Diego R. Alcoba et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Development of high harmonic generation spectroscopy of organic molecules and biomolecules
J. P. Marangos
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2016)
Optimal-continuum and multicentered Gaussian basis sets for high-harmonic generation spectroscopy
Emanuele Coccia et al.
THEORETICAL CHEMISTRY ACCOUNTS (2016)
Stability of the time-dependent configuration-interaction-singles method in the attosecond and strong-field regimes: A study of basis sets and absorption methods
Stefan Pabst et al.
PHYSICAL REVIEW A (2016)
Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation
Takeshi Sato et al.
PHYSICAL REVIEW A (2016)
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
Alberto Castro et al.
EUROPEAN PHYSICAL JOURNAL B (2015)
Time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple-active-space model for multielectron dynamics in intense laser fields
Takeshi Sato et al.
PHYSICAL REVIEW A (2015)
Electrons as probes of dynamics in molecules and clusters: A contribution from Time Dependent Density Functional Theory
P. Wopperer et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2015)
Time-dependent multiconfiguration methods for the numerical simulation of photoionization processes of many-electron atoms
D. Hochstuhl et al.
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS (2014)
Strong-field ionization rates of linear polyenes simulated with time-dependent configuration interaction with an absorbing potential
Pascal Krause et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Strong field ionization rates simulated with time-dependent configuration interaction and an absorbing potential
Pascal Krause et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
B-spline algebraic diagrammatic construction: Application to photoionization cross-sections and high-order harmonic generation
M. Ruberti et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
The structure of approximate two electron wavefunctions in intense laser driven ionization dynamics
Takeshi Sato et al.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2014)
Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
S. Bauch et al.
PHYSICAL REVIEW A (2014)
The Dalton quantum chemistry program system
Kestutis Aidas et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Electron dynamics across molecular wires: A time-dependent configuration interaction study
Raghunathan Ramakrishnan et al.
CHEMICAL PHYSICS (2013)
Molecular strong field ionization and high harmonic generation: A selection of computational illustrations
Michael Spanner et al.
CHEMICAL PHYSICS (2013)
High-Order Harmonic Generation and Attosecond Science
Katsumi Midorikawa
JAPANESE JOURNAL OF APPLIED PHYSICS (2013)
The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction
Eleonora Luppi et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics
Haruhide Miyagi et al.
PHYSICAL REVIEW A (2013)
Time-dependent complete-active-space self-consistent-field method for multielectron dynamics in intense laser fields
Takeshi Sato et al.
PHYSICAL REVIEW A (2013)
Strong-Field Many-Body Physics and the Giant Enhancement in the High-Harmonic Spectrum of Xenon
Stefan Pabst et al.
PHYSICAL REVIEW LETTERS (2013)
Ab initio quantum dynamics using coupled-cluster
Simen Kvaal
JOURNAL OF CHEMICAL PHYSICS (2012)
Computation of high-harmonic generation spectra of H2 and N2 in intense laser pulses using quantum chemistry methods and time-dependent density functional theory
Eleonora Luppi et al.
MOLECULAR PHYSICS (2012)
Role of multiphoton excitation and two-electron effects in high harmonic generation of H2: A TDDFT calculation
Xi Chu et al.
CHEMICAL PHYSICS (2011)
All-electron time-dependent density functional theory with finite elements: Time-propagation approach
Lauri Lehtovaara et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics
Christian Huber et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham
Feizhi Ding et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores
Kenneth Lopata et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields: Comparison of RPA, CIS, CIS(D), and EOM-CCSD
Jason A. Sonk et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields II: Comparison of DFT Functionals and EOM-CCSD
Jason A. Sonk et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Theoretical investigation of resonant nonperturbative high-order harmonic generation in indium vapors
P. V. Redkin et al.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS (2011)
Observation of high-order harmonic generation in a bulk crystal
Shambhu Ghimire et al.
NATURE PHYSICS (2011)
Probing collective multi-electron dynamics in xenon with high-harmonic spectroscopy
A. D. Shiner et al.
NATURE PHYSICS (2011)
Generalized molecular orbital tomography
C. Vozzi et al.
NATURE PHYSICS (2011)
Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes
Loren Greenman et al.
PHYSICAL REVIEW A (2010)
Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory
Stefan Klinkusch et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Singlet-Triplet Transitions in Real-Time Time-Dependent Hartree-Fock/Density Functional Theory
Christine M. Isborn et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Long-range intermolecular charge transfer induced by laser pulses: an explicitly time-dependent configuration interaction approach
Stefan Klinkusch et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation
Jean Christophe Tremblay et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Three-dimensional time-dependent Hartree-Fock approach for arbitrarily oriented molecular hydrogen in strong electromagnetic fields
L. A. A. Nikolopoulos et al.
PHYSICAL REVIEW A (2007)
Molecular response properties from explicitly time-dependent configuration interaction methods
Pascal Krause et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Electronic optical response of molecules in intense fields: Comparison of TD-HF, TD-CIS, and TD-CIS(D) approaches
H. Bernhard Schlegel et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Time-dependent approach to electronically excited states of molecules with the multiconfiguration time-dependent Hartree-Fock method
M. Nest et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Configuration-interaction-based time-dependent orbital approach for ab initio treatment of electronic dynamics in a strong optical laser field
Nina Rohringer et al.
PHYSICAL REVIEW A (2006)
QPROP: A Schrodinger-solver for intense laser-atom interaction
D Bauer et al.
COMPUTER PHYSICS COMMUNICATIONS (2006)
Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide
P Krause et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Simulation of two-photon-photoelectron spectra at a jellium-vacuum interface
C Huber et al.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2005)
A time-dependent Hartree-Fock approach for studying the electronic optical response of molecules in intense fields
XS Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Propagators for the time-dependent Kohn-Sham equations
A Castro et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Complex absorbing potentials
JG Muga et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2004)
Ionization dynamics of extended multielectron systems
M Kitzler et al.
PHYSICAL REVIEW A (2004)
Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model
T Klamroth
PHYSICAL REVIEW B (2003)
Derivation and reflection properties of a transmission-free absorbing potential
DE Manolopoulos
JOURNAL OF CHEMICAL PHYSICS (2002)