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。Ultrafast reorganization of the hole charge created upon outer-valence ionization of porphyrins
Alexander I. Kuleff et al.
CHEMICAL PHYSICS (2012)
Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born-Oppenheimer Paradigm
Takehiro Yonehara et al.
CHEMICAL REVIEWS (2012)
On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method
Kenichiro Saita et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions
David Mendive-Tapia et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective: Nonadiabatic dynamics theory
John C. Tully
JOURNAL OF CHEMICAL PHYSICS (2012)
Ultrafast Predissociation Mechanism of the 1Πu States of 14N2 and Its Isotopomers upon Attosecond Excitation from the Ground State
B. H. Muskatel et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Observation of Ultrafast Charge Migration in an Amino Acid
Louise Belshaw et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Stereocontrol of attosecond time-scale electron dynamics in ABCU using ultrafast laser pulses: a computational study
B. Mignolet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Exploring dynamical electron theory beyond the Born-Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field
Kazuo Takatsuka et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Excited-state dynamics
Benjamin Lasorne et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine
Dmitrii V. Shalashilin
JOURNAL OF CHEMICAL PHYSICS (2010)
Ultrafast Charge Migration Following Valence Ionization of 4-Methylphenol: Jumping over the Aromatic Ring
Alexander I. Kuleff et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Attosecond physics
Ferenc Krausz et al.
REVIEWS OF MODERN PHYSICS (2009)
Attosecond electron dynamics
Matthias F. Kling et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
Ultrafast charge migration in 2-phenylethyl-N,N-dimethylamine
Siegfried Luennemann et al.
CHEMICAL PHYSICS LETTERS (2008)
Charge migration following ionization in systems with chromophore-donor and amine-acceptor sites
Siegfried Luennemann et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Born-Oppenheimer approximation and beyond for time-dependent electronic processes
L. S. Cederbaum
JOURNAL OF CHEMICAL PHYSICS (2008)
Solving the time-dependent Schrodinger equation for nuclear motion in one step: direct dynamics of non-adiabatic systems
G. A. Worth et al.
MOLECULAR PHYSICS (2008)
Pump and probe ultrafast electron dynamics in LiH: a computational study
M. Nest et al.
NEW JOURNAL OF PHYSICS (2008)
Molecular mechanics-valence bond method for planar conjugated hydrocarbon cations
Katherine F. Hall et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Charge migration in different conformers of glycine: The role of nuclear geometry
Alexander I. Kuleff et al.
CHEMICAL PHYSICS (2007)
On the feasibility of an ultrafast purely electronic reorganization in lithium hydride
F. Remacle et al.
CHEMICAL PHYSICS (2007)
Probing ultrafast purely electronic charge migration in small peptides
F. Remacle et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2007)
Ab initio Ehrenfest dynamics -: art. no. 084106
XS Li et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Intramolecular electron transfer in bis(methylene) adamantyl radical cation: A case study of diabatic trapping
L Blancafort et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Universal attosecond response to the removal of an electron
J Breidbach et al.
PHYSICAL REVIEW LETTERS (2005)
Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-Born-Oppenheimer trajectories
CY Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene
M Boggio-Pasqua et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Accidental conical intersections of three states of the same symmetry. I. Location and relevance
S Matsika et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Multistate vibronic interactions in the benzene radical cation.: I.: Electronic structure calculations
M Döscher et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Multistate vibronic interactions in the benzene radical cation.: II.: Quantum dynamical simulations
H Köppel et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions
AW Jasper et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
分享论文
