Systematic Improvement of Energy-Components by Simultaneous Optimization of Exponents and Centers of Gaussian-Type Function Basis Sets for Molecular Self-Consistent-Field Wave Functions
Author:
Affiliation:
1. INAMORI Frontier Research Center, Kyushu University
2. Quantum Chemistry Division, Graduate School of Science, Yokohama-City University
Publisher
Society of Computer Chemistry Japan
Subject
General Medicine
Link
https://www.jstage.jst.go.jp/article/jccj/9/1/9_H2125M/_pdf
Reference39 articles.
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2. [2] G. Chalasinski, S. Cybulski, M. Szczesniak, and S. Scheiner, J. Chem. Phys., 91, 7809 (1990).
3. [3] G. Chalasinski, M. Szczesniak, and B. T.-Kukawska, J. Chem. Phys., 94, 6677 (1991).
4. [4] See, for example,
5. K. Ruedenberg, Rev. Mod. Phys., 34, 326 (1962).
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