Introduction to Integral Calculations

Justin T. Fermann

 

 Contents

     1 Elementary Basis Function Analysis

          1.1 Normalization

          1.2 The Gaussian Product Theorem

          1.3 Products of Contracted Cartesian Gaussians

     2 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 

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