TY - JOUR
T1 - Analytical evaluation of multicenter integrals of12-1 with slater-type atomic orbitals. III. (2-2)-Type three-center integrals
AU - Silverstone, Harris J.
AU - Kay, Kenneth G.
PY - 1968
Y1 - 1968
N2 - The three-center integral of 12-1, with each electron described by a two-center product of integer-n Slater-type orbitals, is evaluated analytically. The result, obtained via the Fourier-transform convolution theorem, is an infinite sum involving spherical harmonics for the internuclear angular coordinates and exponential integral and spherical Bessel-type functions for the internuclear distances. The two-center exchange integral is evaluated as a special case. All results given are for general values of the n, l, m, and ζ parameters of the Slater-type orbitals.
AB - The three-center integral of 12-1, with each electron described by a two-center product of integer-n Slater-type orbitals, is evaluated analytically. The result, obtained via the Fourier-transform convolution theorem, is an infinite sum involving spherical harmonics for the internuclear angular coordinates and exponential integral and spherical Bessel-type functions for the internuclear distances. The two-center exchange integral is evaluated as a special case. All results given are for general values of the n, l, m, and ζ parameters of the Slater-type orbitals.
UR - http://www.scopus.com/inward/record.url?scp=36849112251&partnerID=8YFLogxK
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AN - SCOPUS:36849112251
SN - 0021-9606
VL - 48
SP - 4116
EP - 4125
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 9
ER -