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Gaussian-Type Functions for Polyatomic Systems. II
Abstract
The use of a linear combination of Gaussian-type orbitals (CGTO), instead of an individual Gaussian-type orbital (GTO), as a unit of basis functions for large-scale molecular calculations, is discussed. A systematic construction of the CGTO basis functions is attempted and the results for the atoms from Li through Ar are reported.
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Citations
Cited by
Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms
Wachters, A. J. H. (1970) · The Journal of Chemical Physics · doi:10.1063/1.1673095 · Cited by 3,423
Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations
Rienstra-Kiracofe, J. C., Tschumper, G. S., Schaefer, H. F., Nandi, S., & Ellison, G. B. (2002) · Chemical Reviews · doi:10.1021/cr990044u · Cited by 1,258
Nakatsuji, H. (1979) · Chemical Physics Letters · doi:10.1016/0009-2614(79)85173-8 · Cited by 332
Van Lenthe, J. H., Duijneveldt‐Van Devan Rijdt, J. G. C. M., & Van Duijneveldt, F. B. (1987) · Advances in Chemical Physics · doi:10.1002/9780470142943.ch9 · Cited by 314
Legeza, Ö., Röder, J., & Hess, B. A. (2003) · Physical Review B · doi:10.1103/physrevb.67.125114 · Cited by 263
Metadata
- Authors
- Huzinaga, S., & Sakai, Y.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1969-02-01
- Volume
- 50
- Issue
- 3
- Pages
- 1371-1381
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2039861717
- Cited by
- 3,218
- References
- 0
- FWCI
- 41.51
- Type
- journal article
- Language
- en
- Open access
- closed
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- Huzinaga, S., & Sakai, Y. (1969). Gaussian-Type Functions for Polyatomic Systems. II. The Journal of Chemical Physics. https://doi.org/10.1063/1.1671200
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
