The multi-state CASPT2 method
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference29 articles.
1. B.O. Roos, The complete active space self-consistent field method and its applications in electronic structure calculations, in: K.P. Lawley (Ed.), Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry II, ch. 69, Wiley, Chichester, 1987, p.399.
2. Second-order perturbation theory with a CASSCF reference function
3. Second‐order perturbation theory with a complete active space self‐consistent field reference function
4. B.O. Roos, K. Andersson, M.P. Fülscher, P.-Å. Malmqvist, L. Serrano-Andrés, K. Pierloot, M. Merchán, Multiconfigurational perturbation theory: Applications in electronic spectroscopy, in: I. Prigogine, S.A. Rice (Eds.), Advances in Chemical Physics: New Methods in Computational Quantum Mechanics, vol. XCIII, Wiley, New York, 1996, p.219.
5. Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions
Cited by 1284 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. In-lab synthesized turn-off fluorescence sensor for estimation of Gemigliptin and Rosuvastatin polypill appraised by Spider diagram, AGREE and whiteness metrics;Scientific Reports;2024-02-05
2. Hybrid Density Functional Valence Bond Method with Multistate Treatment;Journal of Chemical Theory and Computation;2024-01-27
3. Analogies between photochemical reactions and ground-state post-transition-state bifurcations shed light on dynamical origins of selectivity;Nature Chemistry;2024-01-12
4. Which Electronic Structure Method to Choose in Trajectory Surface Hopping Dynamics Simulations? Azomethane as a Case Study;The Journal of Physical Chemistry Letters;2024-01-11
5. Electronic structure and optical spectra of Au− ions in RbCl;Journal of Luminescence;2024-01
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