TY - JOUR
T1 - Analytical evaluation of multicenter integrals of r12 -1 with slater-type atomic orbitals. V. Four-center integrals by fourier-transform method
AU - Kay, Kenneth G.
AU - Silvers-Tone, Harris J.
PY - 1969
Y1 - 1969
N2 - The four-center integral of r12-1 with Slater-type atomic orbitals is evaluated analytically. The Fouriertransform convolution theorem is used to express the integral as an infinite sum in which the internuclear angles appear in spherical harmonics, and the internuclear distances in integrals over spherical Bessel functions and exponential-type integrals. These "radial" integrals are evaluated as convergent infinite expansions by contour integration techniques. The formulas are valid for general values of the n, l, m, ζ parameters of the orbitals and for general nonzero values of the internuclear distance vectors.
AB - The four-center integral of r12-1 with Slater-type atomic orbitals is evaluated analytically. The Fouriertransform convolution theorem is used to express the integral as an infinite sum in which the internuclear angles appear in spherical harmonics, and the internuclear distances in integrals over spherical Bessel functions and exponential-type integrals. These "radial" integrals are evaluated as convergent infinite expansions by contour integration techniques. The formulas are valid for general values of the n, l, m, ζ parameters of the orbitals and for general nonzero values of the internuclear distance vectors.
UR - http://www.scopus.com/inward/record.url?scp=0001096709&partnerID=8YFLogxK
U2 - 10.1063/1.1671791
DO - 10.1063/1.1671791
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AN - SCOPUS:0001096709
SN - 0021-9606
VL - 51
SP - 4287
EP - 4304
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 10
ER -