ERIC Number: EJ862741
Record Type: Journal
Publication Date: 2010-Jan
Abstractor: As Provided
Reference Count: 5
A Detailed Derivation of Gaussian Orbital-Based Matrix Elements in Electron Structure Calculations
Petersson, T.; Hellsing, B.
European Journal of Physics, v31 n1 p37-46 Jan 2010
A detailed derivation of analytic solutions is presented for overlap, kinetic, nuclear attraction and electron repulsion integrals involving Cartesian Gaussian-type orbitals. It is demonstrated how s-type orbitals can be used to evaluate integrals with higher angular momentum via the properties of Hermite polynomials and differentiation with respect to non-integration variables.
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Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education
Authoring Institution: N/A