Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra

(2013) Miroslav Šulc et al.   JOURNAL OF CHEMICAL PHYSICS

Numerical Implementation and Test of the Modified Variational Multiconfigurational Gaussian Method for High-Dimensional Quantum Dynamics

(2013) Miklos Ronto et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method

(2012) Kenichiro Saita et al.   JOURNAL OF CHEMICAL PHYSICS

Multiconfigurational Ehrenfest approach to quantum coherent dynamics in large molecular systems

(2011) Dmitrii V. Shalashilin   FARADAY DISCUSSIONS

Ultrafast internal conversion in ethylene. I. The excited state lifetime

(2011) H. Tao et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Rydberg States in the Photochemical Dynamics of Ethylene

(2011) Toshifumi Mori et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Excited-state dynamics

(2011) Benjamin Lasorne et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Optimization of width parameters for quantum dynamics with frozen Gaussian basis sets

(2010) Alexis L. Thompson et al.   CHEMICAL PHYSICS

Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine

(2010) Dmitrii V. Shalashilin   JOURNAL OF CHEMICAL PHYSICS

Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature

(2010) Elisabetta Collini et al.   NATURE

Quantum mechanics with the basis set guided by Ehrenfest trajectories: Theory and application to spin-boson model

(2009) Dmitrii V. Shalashilin   JOURNAL OF CHEMICAL PHYSICS

An “optimal” spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics

(2009) Sandy Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Multiple Spawning Dynamics Using Multi-State Second-Order Perturbation Theory

(2009) Hongli Tao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mapping Excited-State Dynamics by Coherent Control of a Dendrimer's Photoemission Efficiency

(2009) D. G. Kuroda et al.   SCIENCE

Dynamics of Light Harvesting in Photosynthesis

(2008) Yuan-Chung Cheng et al.   Annual Review of Physical Chemistry

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

(2008) Benjamin G. Levine et al.   CHEMICAL PHYSICS

Mixed quantum-classical equilibrium: Surface hopping

(2008) J. R. Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Basis set sampling in the method of coupled coherent states: Coherent state swarms, trains, and pancakes

(2008) Dmitrii V. Shalashilin et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast Dynamics and Coherent Oscillations in Ethylene and Ethylene-d4Excited at 162 nm

(2008) K. Kosma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solving the time-dependent Schrödinger equation for nuclear motion in one step: direct dynamics of non-adiabatic systems

(2008) G.A. Worth et al.   MOLECULAR PHYSICS