Rules for Excited States of Degenerate Systems: Interpretation by Frozen Orbital Analysis
Author:
Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/978-90-481-2596-8_18
Reference40 articles.
1. H. Nakatsuji, K. Hirao, J. Chem. Phys. 68, 2035 (1978)
2. H. Nakatsuji, Chem. Phys. Lett. 59, 362 (1978); 67, 329, 334 (1979)
3. H. Nakatsuji, Acta Chim. Hung. 129, 719 (1992)
4. The frozen-orbital approximation is explained in the standard texts of quantum chemistry, such as A. Szabo, N. S. Ostlund, Modern Quantum Cchemistry: Introduction to Advanced Electronic Structure Theory (McGraw-Hill, New York, 1989); the concept of the frozen-orbital analysis was first proposed in the following paper: H. Nakai, H. Morita, H. Nakatsuji, J. Phys. Chem. 100, 15753 (1996)
5. H. Nakai, H. Morita, P. Tomasello, H. Nakatsuji, J. Phys. Chem. A 102, 2003 (1998)
Cited by 5 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. Theoretical Study on Controlling Factors of Conical Intersections Using Spin-Flip Frozen Orbital Analysis;Journal of Computer Chemistry, Japan;2023
2. Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications;Journal of Computational Chemistry;2020-03-27
3. Unveiling Controlling Factors of the S0/S1 Minimum Energy Conical Intersection: A Theoretical Study;The Journal of Physical Chemistry A;2018-09-25
4. Theoretical Study on the Intersection Structures between Potential Energy Surfaces;Journal of Computer Chemistry, Japan;2018
5. Vibronic bands in the HOMO-LUMO excitation of linear polyyne molecules;Journal of Physics: Conference Series;2013-04-05
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