Fully Numerical Calculations for Diatomic Systems
Author:
Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/978-94-009-2329-4_7.pdf
Reference61 articles.
1. L. Laaksonen, P. Pyykkö and D. Sundholm, Two-dimensional fully numerical solutions of molecular Schrödinger equations. I. One-electron molecules, Int. J. Quantum Chem. 23, 309–317 (1983)
2. L. Laaksonen, P. Pyykkö and D. Sundholm, Two-dimensional fully numerical solutions of molecular Schrödinger equations. II. Solution of the Poisson equation and results for singlet states of H2 and HeH+, Int. J. Quantum Chem. 23, 319–323 (1983)
3. L. Laaksonen, P. Pyykkö and D. Sundholm, Two-dimensional fully numerical solutions of molecular Hartree-Fock equations: LiH and BH, Chem. Phys. Lett. 96, 1–3 (1983)
4. L. Laaksonen, D. Sundholm and P. Pyykkö, Two-dimensional, fully numerical molecular calculations. IV. Hartree-Fock-Slater results on second-row diatomic molecules, Int. J. Quantum Chem. 27, 601–612 (1985)
5. L. Laaksonen, D. Sundholm and P. Pyykkö, Two-dimensional, fully numerical MC SCF calculations on H2 and LiH: The dipole moment of LiH, Chem. Phys. Lett. 105, 573–576 (1984)
Cited by 9 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. Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase;Chemical Society Reviews;2021
2. Probing vibrational coupling via a grid‐based quantum approach—an efficient strategy for accurate calculations of localized normal modes in solid‐state systems;Journal of Computational Chemistry;2018-10-05
3. A comparison of finite basis set and finite difference Hartree-Fock calculations for the InF and TlF molecules;Molecular Physics;1998-04
4. Distributed Gaussian basis sets in correlation energy studies: the second order correlation energy for the ground state of the hydrogen molecule;Advances in Quantum Chemistry;1998
5. Visualization of deficiencies in approximate molecular wave functions: the orbital amplitude difference function for the matrix Hartree-Fock description of the ground state of the boron fluoride molecule;Molecular Physics;1997-12
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