Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions
Author:
Affiliation:
1. Chemistry Department, Queen’s University, Kingston, Ontario K7L 3N6, Canada
Funder
Natural Sciences and Engineering Research Council of Canada (Conseil de Recherches en Sciences Naturelles et en Génie du Canada)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4926805
Reference67 articles.
1. The variational method for the calculation of RO-vibrational energy levels
2. The calculation of the vibration-rotation energies of triatomic molecules using scattering coordinates
3. Variational and perturbative descriptions of highly vibrationally excited molecules
4. Theoretical Methods for Rovibrational States of Floppy Molecules
5. Variational quantum approaches for computing vibrational energies of polyatomic molecules
Cited by 23 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. Computing vibrational spectra using a new collocation method with a pruned basis and more points than basis functions: Avoiding quadrature;The Journal of Chemical Physics;2023-04-13
2. A posteriori localization of many‐body excited states through simultaneous diagonalization;Journal of Computational Chemistry;2022-10-10
3. Short-periodic-orbit method for excited chaotic eigenfunctions;Physical Review E;2020-10-09
4. An algorithm to find (and plug) “holes” in multi-dimensional surfaces;The Journal of Chemical Physics;2020-06-07
5. Basis set convergence of Wilson basis functions for electronic structure;The Journal of Chemical Physics;2019-08-14
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