Numerical evaluation of molecular one- and two-electron multicenter integrals with exponential-type orbitals via the Fourier-transform method
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.38.3857/fulltext
Reference54 articles.
1. Molecular Integrals
2. The Evaluation of Molecular Integrals for Slater-Type Orbitals
3. Molecular Wave Functions: Calculation and Use in Atomic and Molecular Processes
4. Extremely compact formulas for molecular two-center one-electron integrals and Coulomb integrals over Slater-type atomic orbitals
5. The Fourier transforms of some exponential‐type basis functions and their relevance to multicenter problems
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