Issue 0, 1975

Cusped-gaussian molecular wavefunctions. Part 2.—The molecular integrals

Abstract

Formulae and general methods of evaluation are presented for the molecular integrals involving both cusp and gaussian functions. It is proposed that the integrals are most conveniently evaluated numerically by the Gauss–Jacobi method.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1975,71, 926-936

Cusped-gaussian molecular wavefunctions. Part 2.—The molecular integrals

E. Steiner and B. C. Walsh, J. Chem. Soc., Faraday Trans. 2, 1975, 71, 926 DOI: 10.1039/F29757100926

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