A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid-Reference-Cited by-同舟云学术

A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

Published:2019-12-21 Issue:23 Volume:151 Page:234102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Choi Seonghoon¹^ORCID,Vaníček Jiří¹^ORCID

Affiliation:

1. Laboratory of Theoretical Physical Chemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

Funder

H2020 European Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5127856

Reference73 articles.

1. Molecular state evolution after excitation with an ultra-short laser pulse: A quantum analysis of NaI and NaBr dissociation

2. Time-dependent quantum-mechanical methods for molecular dynamics

3. Resonance Raman spectroscopy of theS1andS2states of pyrazine: Experiment and first principles calculation of spectra

4. On-the-fly ab initio three thawed Gaussians approximation: A semiclassical approach to Herzberg-Teller spectra

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics;The Journal of Chemical Physics;2024-02-22

2. Tensor-Train Split-Operator KSL (TT-SOKSL) Method for Quantum Dynamics Simulations;Journal of Chemical Theory and Computation;2022-06-01

3. High-order geometric integrators for representation-free Ehrenfest dynamics;The Journal of Chemical Physics;2021-09-28

4. Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics;The Journal of Physical Chemistry Letters;2021-03-18

5. Time-dependent quantum mechanical wave packet dynamics;Physical Chemistry Chemical Physics;2021