ISSN:
1432-2234
Schlagwort(e):
Green's function
;
Matrix elements
;
Cartesian Gaussian functions
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Summary In this paper, we present new general analytical formulas for matrix elements of the free-particle Green's function over arbitrary Cartesian Gaussians and explicit formulas for Green's function matrix elements overs, p, d andf Gaussians. One-center matrix elements were obtained by direct integration and two-center matrix elements by differentiation of the integral formula fors Gaussians with respect to the position vectors ofp, d, andf Gaussians. We also present a representative set of numerical values of the matrix elements.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01113857
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