TY - JOUR
T1 - Concise, open‐ended implementation of Rys polynomial evaluation of two‐Electron integrals
AU - Augspurger, Joseph D.
AU - Bernholdt, David E.
AU - Dykstra, Clifford E.
PY - 1990/9
Y1 - 1990/9
N2 - A quadrature‐point‐driven implementation of the standard Rys polynomial method for computing two‐electron repulsion integrals of gaussian basis functions has been found to be both concise and openended with respect to the angular momentum of the gaussian functions (i.e., s,p,d,f,g,…). These are important features in certain applications, such as molecular properties and property gradients.
AB - A quadrature‐point‐driven implementation of the standard Rys polynomial method for computing two‐electron repulsion integrals of gaussian basis functions has been found to be both concise and openended with respect to the angular momentum of the gaussian functions (i.e., s,p,d,f,g,…). These are important features in certain applications, such as molecular properties and property gradients.
UR - http://www.scopus.com/inward/record.url?scp=0010018834&partnerID=8YFLogxK
U2 - 10.1002/jcc.540110809
DO - 10.1002/jcc.540110809
M3 - Article
AN - SCOPUS:0010018834
SN - 0192-8651
VL - 11
SP - 972
EP - 977
JO - Journal of Computational Chemistry
JF - Journal of Computational Chemistry
IS - 8
ER -