4-center STO interelectron repulsion integrals with Coulomb Sturmians
Research output: Contribution to journal › Conference article › Research › peer-review
James Emil Avery, John Scales Avery
Abstract We present a method for evaluating 4-center electron repulsion integrals (ERI) for Slater-type orbitals by way of expansions in terms of Coulomb Sturmians. The ERIs can then be evaluated using our previously published methods for rapid evaluation of Coulomb Sturmians through hyperspherical harmonics. Numerical investigations are made of the efficiency in 1- and 2-center cases where the exact integrals can be evaluated.
|Book series||Advances in Quantum Chemistry|
|Number of pages||14|
|Publication status||Published - 2018|