TY - JOUR
T1 - A combined analytical and numerical strategy to solve the atomic Hartree-Fock equations in momentum space
AU - deWindt, Laurent
AU - Fischer, Patrick
AU - Defranceschi, Mireille
AU - Delhalle, Joseph
AU - Fripiat, Joseph
PY - 1993
Y1 - 1993
N2 - The momentum representation offers new opportunities to obtain high quality approximate solutions to the Hartree-Fock equations. The self-consistent field method is applied here to the ground states of four- (Li-, Be, and B+) and ten- (F-, Ne, and Na+) electron atoms in momentum space. Analytical calculations using momentum space gaussian functions, together with Gauss quadrature and gaussian fit, are combined to compute the atomic Hartree-Fock orbitals.
AB - The momentum representation offers new opportunities to obtain high quality approximate solutions to the Hartree-Fock equations. The self-consistent field method is applied here to the ground states of four- (Li-, Be, and B+) and ten- (F-, Ne, and Na+) electron atoms in momentum space. Analytical calculations using momentum space gaussian functions, together with Gauss quadrature and gaussian fit, are combined to compute the atomic Hartree-Fock orbitals.
U2 - 10.1006/jcph.1994.1062
DO - 10.1006/jcph.1994.1062
M3 - Article
SN - 0021-9991
VL - 111
SP - 266
EP - 274
JO - Journal of computational physics
JF - Journal of computational physics
IS - 2
ER -