A two-layer approach to the coupled coherent states method

Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential

(2015) James A. Green et al.   CHEMICAL PHYSICS LETTERS

Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging

(2015) Dmitry V. Makhov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coupled-coherent-states approach for high-order harmonic generation

(2015) C. Symonds et al.   PHYSICAL REVIEW A

Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

(2014) Dmitry V. Makhov et al.   JOURNAL OF CHEMICAL PHYSICS

Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. I. Theory

(2013) S. Römer 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

Towards a variational formulation of mixed quantum-classical molecular dynamics

(2013) S. Römer et al.   MOLECULAR PHYSICS

Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method

(2013) Kenichiro Saita et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Trajectory-guided configuration interaction simulations of multidimensional quantum dynamics

(2012) Scott Habershon   JOURNAL OF CHEMICAL PHYSICS

Modeling of quantum-information processing with Ehrenfest guided trajectories: A case study with spin-boson-like couplings

(2012) Sai-Yun Ye et al.   PHYSICAL REVIEW A

Multiconfigurational Ehrenfest approach to quantum coherent dynamics in large molecular systems

(2011) Dmitrii V. Shalashilin   FARADAY DISCUSSIONS

Cartesian coupled coherent states simulations: NenBr2 dissociation as a test case

(2011) Stewart K. Reed et al.   JOURNAL OF CHEMICAL PHYSICS

Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon–Heiles Hamiltonian and to pyrazine

(2011) Oriol Vendrell et al.   JOURNAL OF 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

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

Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables

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

A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces

(2008) Uwe Manthe   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