研究论文
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs
Karlsruhe Institute of Technology
阅读操作
确认中在文库中上传 PDF 后可生成中文音频讲解。
摘要与影响
摘要 · 完整
Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self-consistent field ground state energies with respect to all basis set parameters, i.e., orbital exponents and contraction coefficients.
逐年被引趋势
4722360
47217
18
19
20
21
22
23
24
25
26
关键指标
9,622
被引次数 · OpenAlex
20.02
领域内被引倍数
同类平均 = 1
同类平均 = 1
前 0.2%
引用位次
同领域 · 同年份 · 同类型
同领域 · 同年份 · 同类型
23
参考文献
Google Scholar 与 OpenAlex 的被引统计范围不同,数值存在差异属正常。
AI 辅助阅读
依据:摘要
论文问答
当前基于摘要回答
可就本文提问;依据不足时会说明。
学术脉络
学科主题
物理Advanced Chemical Physics Studies
Atomic and Molecular Physics · Advanced Physical and Chemical Molecular Interactions
参考文献 23
The Hartree-Fock method for atoms: A numerical approach
被引 268Charlotte Froese Fischer · CERN Document Server (European Organization for Nuclear Research) · 1977
Gaussian Basis Sets for Molecular Calculations
被引 1,945Physical sciences data · 1984
Roothaan-Hartree-Fock atomic wavefunctions
被引 5,528Enrico Clementi, Carla Roetti · Atomic Data and Nuclear Data Tables · 1974
此处列出前 3 条
引用本文 9,622
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
被引 30,761Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
被引 9,180Ansgar Schäfer, Christian Huber, Reinhart Ahlrichs · The Journal of Chemical Physics · 1994
Accurate Coulomb-fitting basis sets for H to Rn
被引 9,040Florian Weigend · Physical Chemistry Chemical Physics · 2006
按被引量排序,此处列出前 3 条