Three-center Gaussian-type-orbital integral evaluation using solid spherical harmonics.
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Summary
An analysis of various approaches to evaluating overlap and Coulomb matrix elements involving Gaussian-type-orbital primitive functions whose angular parts are solid spherical harmonics is given, finding uncoupled methods are best, particularly for higher angular momentum.
- Type
- article
- Published
- 1990-08-01
- Cited by
- 43
- References
- 0
- OpenAlex
- https://openalex.org/W1967278216
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:26384876
Keywords
Physics, Angular momentum, Spherical harmonics, Gaussian, Angular momentum coupling
References
Cited by
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