A detailed derivation of Gaussian orbitalbased matrix elements in electron structure calculations
Abstract
A detailed derivation of analytic solutions is presented for overlap, kinetic, nuclear attraction and electron repulsion integrals involving Cartesian Gaussiantype orbitals. It is demonstrated how stype orbitals can be used to evaluate integrals with higher angular momentum via the properties of Hermite polynomials and differentiation with respect to nonintegration variables.
 Publication:

European Journal of Physics
 Pub Date:
 January 2010
 DOI:
 10.1088/01430807/31/1/004
 Bibcode:
 2010EJPh...31...37P