An efficient algorithm for energy gradients and orbital optimization in valence bond theory-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

An efficient algorithm for energy gradients and orbital optimization in valence bond theory

Published:2009-02 Issue:3 Volume:30 Page:399-406
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Song Lingchun,Song Jinshuai,Mo Yirong,Wu Wei

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference70 articles.

1. Special issue. J Comput Chem 2007, 28.

2. What happens to molecules as they react? A valence bond approach to reactivity

3. Improved Quantum Theory of Many-Electron Systems. II. The Basic Method

Cited by 50 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. Implementation of molecular symmetry in valence bond calculation;Journal of the Chinese Chemical Society;2022-12-30

2. Relativistic nonorthogonal configuration interaction: application to L_2,3-edge X-ray spectroscopy;Physical Chemistry Chemical Physics;2022

3. Block-Localized Excitation for Excimer Complex and Diabatic Coupling;Journal of Chemical Theory and Computation;2020-12-28

4. Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide;Journal of Chemical Theory and Computation;2020-12-15

5. Ab initio valence bond theory: A brief history, recent developments, and near future;The Journal of Chemical Physics;2020-09-07

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