Az Eszterházy Károly Tanárképző Főiskola Tudományos Közleményei. 1990. Sectio Physicae (Acta Academiae Paedagogicae Agriensis : Nova series ; Tom. 20)

Franczia Tamás: An arialytical inethod for calculating multicentre intégrais built up from GTF—S II.

- 3 TAMÁS FRANCZIA AN ANALYTICAL METHOD FOE CALCULATING MULTICENTRE INTEGRALS BUILT UP FROM GTF-S II. ABSTRACT: This paper is éhe oontinuation of CI 3 discussing the analytical evaluation of three—centre one—electron potential integrals made up of primitive GTF—S and ßardsiey's pseudopotential

. In CI 3, C23, C3 3, Cd] and C53 we have suggested an analytical method for the unified evaluation of multicentre potential integrális made up of primitive GTF—S and polarizational pseudopotential members. The main steps of the method have been presented mainly in CI 3, Cd 3, C33. This paper is the continuation of CI J discussing the analytical evaluation of three—centre one—electron potential integrals made up of primitive GTF—S and Bardsley's pseudopotential. In CI 3 we have pointed out that the value of analytical evaluation of the matrix elements of Bardsley's pseudopotential formed with primitive GTF-S. Here p, F, d are real numbers. In calculating the above-mentioned integral first we are going to apply Fourier's cosinus— and sinus transforms defined by the necessary to the