Computing vibrational energy levels of CH4with a Smolyak collocation method
Author:
Affiliation:
1. Chemistry Department, Queen’s University, Kingston, Ontario K7L 3N6, Canada
Funder
Natural Sciences and Engineering Research Council of Canada (NSERC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4999153
Reference66 articles.
1. The calculation of the vibration-rotation energies of triatomic molecules using scattering coordinates
2. A variational method for the determination of the vibrational (J = 0) energy levels of acetylene, using a Hamiltonian in internal coordinates
3. Perspective: Computing (ro-)vibrational spectra of molecules with more than four atoms
4. The collocation method for bound solutions of the Schrödinger equation
5. Solving the Schroedinger equation using Smolyak interpolants
Cited by 22 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. Using nested tensor train contracted basis functions with group theoretical techniques to compute (ro)-vibrational spectra of molecules with non-Abelian groups;The Journal of Chemical Physics;2024-07-22
2. Accelerating wavepacket propagation with machine learning;Journal of Computational Chemistry;2024-06-21
3. Using a pruned basis and a sparse collocation grid with more points than basis functions to do efficient and accurate MCTDH calculations with general potential energy surfaces;The Journal of Chemical Physics;2024-06-05
4. Eigenstate calculation in the state-averaged (multi-layer) multi-configurational time-dependent Hartree approach;The Journal of Chemical Physics;2024-01-17
5. How Coupled-Cluster Theory is Solving the Electron Correlation Problem;Comprehensive Computational Chemistry;2024
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