Use of Fock-Petrashen and Hydrogenic Orbitals in Single-Center Wavefunctions
- 1 November 1965
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 43 (9) , 3052-3054
- https://doi.org/10.1063/1.1697274
Abstract
The use of Fock—Petrashen, Slater, and hydrogenic orbitals within the single‐center method is studied and compared for a single determinantal wavefunction of H2O. The use of Slater orbitals is found to be superior and the reasons for this are given.Keywords
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