A novel Gaussian-Sinc mixed basis set for electronic structure calculations
Author:
Affiliation:
1. Department of Physics, Texas Southern University, Houston, Texas 77004, USA
Funder
National Science Foundation (NSF)
Army Research Office (ARO)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4928577
Reference34 articles.
1. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
2. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
3. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
4. CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
5. GTO basis sets for heavier elements
Cited by 14 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. Full-dimensional Schrödinger wavefunction calculations using tensors and quantum computers: the Cartesian component-separated approach;Physical Chemistry Chemical Physics;2022
2. Infrared detection of Criegee intermediates;Journal of the Chinese Chemical Society;2021-11-20
3. Computational Chemistry: The Exciting Opportunities and the Boring Details;Israel Journal of Chemistry;2021-06-14
4. Criegee Intermediates in Autoxidation Reactions: Mechanistic Considerations;The Journal of Physical Chemistry A;2021-01-04
5. Complex absorbing potentials for stark resonances;International Journal of Quantum Chemistry;2019-11
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