Literaturnachweis - Detailanzeige
Autor/inn/en | Petersson, T.; Hellsing, B. |
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Titel | A Detailed Derivation of Gaussian Orbital-Based Matrix Elements in Electron Structure Calculations |
Quelle | In: European Journal of Physics, 31 (2010) 1, S.37-46 (10 Seiten)
PDF als Volltext |
Sprache | englisch |
Dokumenttyp | gedruckt; online; Zeitschriftenaufsatz |
ISSN | 0143-0807 |
DOI | 10.1088/0143-0807/31/1/004 |
Schlagwörter | Mechanics (Physics); Molecular Structure; Computation; Calculus |
Abstract | 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. (As Provided). |
Anmerkungen | Institute of Physics Publishing. The Public Ledger Building Suite 929, 150 South Independence Mall West, Philadelphia, PA 19106. Tel: 215-627-0880; Fax: 215-627-0879; e-mail: info@ioppubusa.com; Web site: http://www.iop.org/EJ/journal/EJP |
Erfasst von | ERIC (Education Resources Information Center), Washington, DC |
Update | 2017/4/10 |