Ab initioEhrenfest dynamics

Author:

Li Xiaosong,Tully John C.,Schlegel H. Bernhard,Frisch Michael J.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference61 articles.

1. D. L. Bunker,Methods in Computational Physics(Academic Press, New York, 1971), Vol. 10, p. 287;

2. D. L. Thompson, inEncyclopedia of Computational Chemistry, edited by P. v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester, New York, 1998), p. 3059.

3. Ab initio classical trajectories on the Born–Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits

Cited by 321 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. Electronic stopping in ternary material SiCN: Anomalous behavior of slow channeling helium ions;Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms;2024-03

2. Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states;The Journal of Chemical Physics;2024-02-02

3. A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations;Computer Physics Communications;2024-02

4. Ultrafast shift current dynamics in WS2 monolayer;Physical Review Research;2024-01-30

5. Rational Design of Full-Color Fluorescent C3N Quantum Dots;The Journal of Physical Chemistry Letters;2024-01-25

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3