How to choose one-dimensional basis functions so that a very efficient multidimensional basis may be extracted from a direct product of the one-dimensional functions: Energy levels of coupled systems with as many as 16 coordinates
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1863935
Reference77 articles.
1. The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations
2. Time averaging the semiclassical initial value representation for the calculation of vibrational energy levels. II. Application to H2CO, NH3, CH4, CH2D2
3. Excited states by quantum Monte Carlo methods: Imaginary time evolution with projection operators
4. Structure and energetics of small helium clusters: Quantum simulations using a recent perturbational pair potential
5. Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF)2 and its isotopomers from quantum Monte Carlo calculations
Cited by 80 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. Quantum molecular dynamics simulations of the effect of secondary modes on the photoisomerization of a retinal chromophore model;The European Physical Journal Special Topics;2023-07-27
2. A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations;The Journal of Chemical Physics;2023-06-22
3. A non-hierarchical correlation discrete variable representation;The Journal of Chemical Physics;2022-04-07
4. Program Synthesis of Sparse Algorithms for Wave Function and Energy Prediction in Grid-Based Quantum Simulations;Journal of Chemical Theory and Computation;2022-03-16
5. Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian model of reactive scattering;Chemical Physics Letters;2022-01
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