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。Free-Electron Lasers: New Avenues in Molecular Physics and Photochemistry
Joachim Ullrich et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
Attosecond Science: Recent Highlights and Future Trends
Lukas Gallmann et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses
Jason D. Biggs et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption
K. Lopata et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Probing the Electronic Structure of a Photoexcited Solar Cell Dye with Transient X-ray Absorption Spectroscopy
Benjamin E. Van Kuiken et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Manipulating one- and two-dimensional stimulated-x-ray resonant-Raman signals in molecules by pulse polarizations
Daniel Healion et al.
PHYSICAL REVIEW A (2012)
Introduction to the new science with X-ray free electron lasers
J. P. Marangos
CONTEMPORARY PHYSICS (2011)
Simulation and visualization of attosecond stimulated x-ray Raman spectroscopy signals in trans-N-methylacetamide at the nitrogen and oxygen K-edges
Daniel Healion et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Linearity condition for orbital energies in density functional theory: Construction of orbital-specific hybrid functional
Yutaka Imamura et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Double excitations in correlated systems: A many-body approach
Davide Sangalli et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Energy-Specific Linear Response TDHF/TDDFT for Calculating High-Energy Excited States
Wenkel Liang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Complex Polarization Propagator Approach in the Restricted Open-Shell, Self-Consistent Field Approximation: The Near K-Edge X-ray Absorption Fine Structure Spectra of Allyl and Copper Phthalocyanine
Mathieu Linares et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Theoretical study of sulfur L-edge XANES of thiol protected gold nanoparticles
A. Nardelli et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments
Denis Jacquemin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Nonlinear Atomic Response to Intense Ultrashort X Rays
G. Doumy et al.
PHYSICAL REVIEW LETTERS (2011)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations
Norman Schmidt et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Tracing molecular electronic excitation dynamics in real time and space
Anthony D. Dutoi et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Time-dependent density functional theory calculations of the spectroscopy of core electrons
Nicholas A. Besley et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Ultraintense X-Ray Induced Ionization, Dissociation, and Frustrated Absorption in Molecular Nitrogen
M. Hoener et al.
PHYSICAL REVIEW LETTERS (2010)
Electron tunneling in respiratory complex I
Tomoyuki Hayashi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Towards an exact correlated orbital theory for electrons
Rodney J. Bartlett
CHEMICAL PHYSICS LETTERS (2009)
Double excitations in finite systems
P. Romaniello et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals
Nicholas A. Besley et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
Serena DeBeer George et al.
INORGANICA CHIMICA ACTA (2008)
Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory
Igor V. Schweigert et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Probing interactions between core-electron transitions by ultrafast two-dimensional x-ray coherent correlation spectroscopy
Igor V. Schweigert et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Core-excitation energy calculations with a long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP)
Jong-Won Song et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Probing Multiple Core-Hole Interactions in the Nitrogen K-Edge of DNA Base Pairs by Multidimensional Attosecond X-ray Spectroscopy. A Simulation Study
Daniel M. Healion et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)
Andrew T. B. Gilbert et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory
Serena DeBeer George et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Double-quantum-coherence attosecond x-ray spectroscopy of spatially separated, spectrally overlapping core-electron transitions
Igor V. Schweigert et al.
PHYSICAL REVIEW A (2008)
Coherent ultrafast core-hole correlation spectroscopy: X-ray analogues of multidimensional NMR
Igor V. Schweigert et al.
PHYSICAL REVIEW LETTERS (2007)
Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra
Guangde Tu et al.
PHYSICAL REVIEW A (2007)
PS13:: An open-source ab initio electronic structure package
T. Daniel Crawford et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Probing valence electronic wave-packet dynamics by all x-ray stimulated Raman spectroscopy: A simulation study
Igor V. Schweigert et al.
PHYSICAL REVIEW A (2007)
Time-dependent density functional theory study of the X-ray absorption spectroscopy of acetylene, ethylene, and benzene on Si(100)
Nicholas A. Besley et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Tracing ultrafast interatomic electronic decay processes in real time and space
Alexander I. Kuleff et al.
PHYSICAL REVIEW LETTERS (2007)
Symmetry and vibrationally resolved absorption spectra near the OK edge of N2O:: Experiment and theory
T. Tanaka et al.
CHEMICAL PHYSICS LETTERS (2007)
Analysis of self-interaction correction for describing core excited states
Yutaka Imamura et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations
Kallol Ray et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Sulfur: not a silent element any more
Farideh Jalilehvand
CHEMICAL SOCIETY REVIEWS (2006)
Polarization propagator for X-ray spectra
Ulf Ekstrom et al.
PHYSICAL REVIEW LETTERS (2006)
Ab initio correlation functionals from second-order perturbation theory
Igor V. Schweigert et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: Core-valence-Rydberg B3LYP
Ayako Nakata et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
X-ray absorption spectra of water from first principles calculations
D Prendergast et al.
PHYSICAL REVIEW LETTERS (2006)
Symmetry-dependent vibrational excitation in N 1s photoionization of N2:: Experiment and theory -: art. no. 124311
M Ehara et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Time-dependent density functional theory calculations for core-excited states: Assessment of standard exchange-correlation functionals and development of a novel hybrid functional
A Nakata et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Nonlinear response theory with relaxation: The first-order hyperpolarizability
P Norman et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Single-reference ab initio methods for the calculation of excited states of large molecules
A Dreuw et al.
CHEMICAL REVIEWS (2005)
Innershell absorption spectroscopy of amino acids at all relevant absorption edges
Y Zubavichus et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Symmetry-resolved vibrational spectra of carbon K-shell photoelectron satellites in carbon monoxides:: Experiment and theory -: art. no. 243004
K Ueda et al.
PHYSICAL REVIEW LETTERS (2005)
C 1s and O 1s photoelectron spectra of formaldehyde with satellites: theory and experiment
K Kuramoto et al.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2005)
Progress in the theory and interpretation of XANES
JJ Rehr et al.
COORDINATION CHEMISTRY REVIEWS (2005)
Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: First-row K-shell ionizations and their satellites
K Kuramoto et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Double excitations within time-dependent density functional theory linear response
NT Maitra et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Simulation of x-ray absorption near edge spectra of electronically excited ruthenium tris-2,2′-bipyridine
L Campbell et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Calculation of near-edge x-ray-absorption fine structure at finite temperatures:: Spectral signatures of hydrogen bond breaking in liquid water
B Hetényi et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Time dependent density functional theory of core electrons excitations
M Stener et al.
CHEMICAL PHYSICS LETTERS (2003)
X-ray absorption near-edge structure calculations with the pseudopotentials:: Application to the K edge in diamond and α-quartz -: art. no. 195107
M Taillefumier et al.
PHYSICAL REVIEW B (2002)
Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules
S Tretiak et al.
CHEMICAL REVIEWS (2002)
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
P Norman et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Scheme to calculate core hole-electron interactions in solids
JA Soininen et al.
PHYSICAL REVIEW B (2001)
分享论文
