Addition and expansion theorems for complete orthonormal sets of exponential-type orbitals in coordinate and momentum representations
- 1 June 2003
- journal article
- Published by Springer Nature in Journal of Molecular Modeling
- Vol. 9 (3) , 135-141
- https://doi.org/10.1007/s00894-002-0109-6
Abstract
Analytical properties of new complete orthonormal sets of Ψα exponential-type orbitals (Ψα-ETOs where α=1, 0, −1, −2, …), introduced by the author as finite linear combinations of Slater-type orbitals (STOs), are studied. Addition and expansion theorems for Ψα-ETOs are obtained in both coordinate and momentum representations. Using expressions of Ψα-ETOs in terms of STOs, the new methods are suggested to calculate multicenter multielectron integrals over STOs.Keywords
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