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。Dynamics at Conical Intersections
Michael S. Schuurman et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 69 (2018)
Ab Initio Nonadiabatic Quantum Molecular Dynamics
Basile F. E. Curchod et al.
CHEMICAL REVIEWS (2018)
Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
Yinan Shu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Topologically Correct Quantum Nonadiabatic Formalism for On-the-Fly Dynamics
Loic Joubert-Doriol et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry
Peter W. Foster et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Nonadiabatic tunneling via conical intersections and the role of the geometric phase
Changjian Xie et al.
PHYSICAL REVIEW A (2017)
Understanding the Surface Hopping View of Electronic Transitions and Decoherence
Joseph E. Subotnik et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67 (2016)
Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections
Garrett A. Meek et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
The best of both Reps-Diabatized Gaussians on adiabatic surfaces
Garrett A. Meek et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Accurate nonadiabatic dynamics
Hua Guo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach
Sebastian Fernandez-Alberti et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings
Joseph E. Subotnik et al.
ACCOUNTS OF CHEMICAL RESEARCH (2015)
Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning
Garrett A. Meek et al.
CHEMICAL PHYSICS (2015)
Model space diabatization for quantum photochemistry
Shaohong L. Li et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase Effects
Rami Gherib et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
On the Construction of Property Based Diabatizations: Diabolical Singular Points
Xiaolei Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
When do we need to account for the geometric phase in excited state dynamics?
Ilya G. Ryabinkin et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data
Xiaolei Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Diabatization based on the dipole and quadrupole: The DQ method
Chad E. Hoyer et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations
Garrett A. Meek et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
A Simple Solution to the Trivial Crossing Problem in Surface Hopping
Linjun Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules
Tammie Nelson et al.
CHEMICAL PHYSICS LETTERS (2013)
Geometric Phase Effects in Dynamics Near Conical Intersections: Symmetry Breaking and Spatial Localization
Ilya G. Ryabinkin et al.
PHYSICAL REVIEW LETTERS (2013)
Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
Wolfgang Domcke et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
Nonadiabatic Quantum Chemistry-Past, Present, and Future
David R. Yarkony
CHEMICAL REVIEWS (2012)
Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules
Sebastian Fernandez-Alberti et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective: Nonadiabatic dynamics theory
John C. Tully
JOURNAL OF CHEMICAL PHYSICS (2012)
Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
Felix Plasser et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization
Christian Evenhuis et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer: Generation of Charge-Localized Diabatic States
Andrew Sirjoosingh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
HN2(2A′) electronic manifold.: II.: Ab initio based double-sheeted DMBE potential energy surface via a global diabatization angle
Vinicius C. Mota et al.
JOURNAL OF PHYSICAL CHEMISTRY A (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)
Isomerization through conical intersections
Benjamin G. Levine et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2007)
Non-Born-Oppenheimer molecular dynamics
AW Jasper et al.
ACCOUNTS OF CHEMICAL RESEARCH (2006)
Properties of nonadiabatic couplings and the generalized Born-Oppenheimer approximation
BK Kendrick et al.
CHEMICAL PHYSICS (2002)
The direct calculation of diabatic states based on configurational uniformity
H Nakamura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Direct semiclassical simulation of photochemical processes with semiempirical wave functions
G Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions
DR Yarkony
JOURNAL OF CHEMICAL PHYSICS (2001)
Ab initio multiple spawning:: Photochemistry from first principles quantum molecular dynamics
M Ben-Nun et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)