1
vote
Accepted
Correct expressions for one-center Gaussian radial two-electron integrals
Upon further examination, although the recursion relation used to evaluate the $E$ functions given in the paper are wrong, it turns out that the equation in terms of the binomial coefficients is ...
Only top scored, non community-wiki answers of a minimum length are eligible
Related Tags
mathematical-modeling × 108density-functional-theory × 19
quantum-mechanics × 13
molecular-modeling × 12
molecular-dynamics × 11
derivations × 11
quantum-chemistry × 10
symmetry × 9
reference-request × 7
condensed-matter × 7
kohn-sham × 7
electronic-structure × 6
python × 6
physical-properties-of-materials × 6
computational-chemistry × 5
cheminformatics × 5
software × 4
software-recommendations × 4
statistical-thermodynamics × 4
high-performance-computing × 3
basis-sets × 3
spectroscopy × 3
model-hamiltonians × 3
proteins × 3
berry-phase × 3