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1 Elementary Basis Function Analysis
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Contents
1 Elementary Basis Function Analysis
1.1 Normalization
1.2 The Gaussian Product Theorem
1.3 Products of Contracted Cartesian Gaussians
2 S -- Overlap Integrals
2.1 Overlap of primitive 1s functions on different centers
2.2 Overlap of generally contracted 1s functions
2.3 Overlap of primitive arbitrary angular momentum functions
3 --Kinetic Energy Integrals
3.1
3.2 Asymmetric form of
3.3 Symmetric form of
4 -- Nuclear Attraction Integrals
4.1 The need for a transformation
4.2 Laplace transform
4.3 Fourier transform
5 Electron Repulsion Integrals
This document is copyright 1996,
Wed Jul 2 16:14:39 EDT 1997