Comparison of the electric moments obtained from finite basis set and finite-difference Hartree-Fock calculations for diatomic molecules
Author:
Publisher
American Physical Society (APS)
Subject
Atomic and Molecular Physics, and Optics
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.62.062503/fulltext
Reference33 articles.
1. Rates of convergence of variational calculations and of expectation values
2. Finite basis set versus finite difference and finite element methods
3. On the accuracy of the algebraic approximation in molecular electronic structure calculations. III. Comparison of matrix Hartree-Fock and numerical Hartree-Fock calculations for the ground state of the nitrogen molecule
4. Finite-difference versus finite-element methods
5. A comparison of finite basis set and finite difference Hartree-Fock calculations for the BF, AlF and GaF molecules
Cited by 38 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. Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method;Theoretical Chemistry Accounts;2024-05
2. Genuine quadruple bonds between two main-group atoms. Chemical bonding in AeF− (Ae = Be–Ba) and isoelectronic EF (E = B–Tl) and the particular role of d orbitals in covalent interactions of heavier alkaline-earth atoms;Chemical Science;2023
3. Hyperfine-resolved optical spectroscopy of the A2Π ← X2Σ+ transition in MgF;The Journal of Chemical Physics;2022-04-07
4. Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach;International Journal of Quantum Chemistry;2021-06-30
5. Electron scattering studies of BF and BF2;Journal of Physics B: Atomic, Molecular and Optical Physics;2020-10-22
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