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Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Abstract
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.
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Metadata
- Authors
- Schäfer, A., Horn, H., & Ahlrichs, R.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1992-08-15
- Volume
- 97
- Issue
- 4
- Pages
- 2571-2577
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2078146328
- Cited by
- 9,610
- References
- 0
- FWCI
- 20.02
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Fully optimized contracted Gaussian basis sets for atoms Li to Kr. https://app.cochat.ai/papers/10.1063/1.463096
- The paper
- Schäfer, A., Horn, H., & Ahlrichs, R. (1992). Fully optimized contracted Gaussian basis sets for atoms Li to Kr. The Journal of Chemical Physics. https://doi.org/10.1063/1.463096
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
