TY - JOUR
T1 - Unified treatment of two-center overlap, coulomb, and kinetic-energy integrals
AU - David Todd, H.
AU - Kay, Kenneth G.
AU - Silverstone, Harris J.
PY - 1970
Y1 - 1970
N2 - A single analytical formula is derived which gives the two-center overlap, Coulomb, nuclear-attraction, and kinetic-energy integrals as special cases. There are no difficulties when orbital exponents are nearly equal. Simplification of the derivative operators, which are characteristic of the approach, is discussed in detail. A computational scheme is outlined, and computing times are given.
AB - A single analytical formula is derived which gives the two-center overlap, Coulomb, nuclear-attraction, and kinetic-energy integrals as special cases. There are no difficulties when orbital exponents are nearly equal. Simplification of the derivative operators, which are characteristic of the approach, is discussed in detail. A computational scheme is outlined, and computing times are given.
UR - http://www.scopus.com/inward/record.url?scp=36849097737&partnerID=8YFLogxK
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AN - SCOPUS:36849097737
SN - 0021-9606
VL - 53
SP - 3947
EP - 3950
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 10
ER -