Resolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution

Limpanuparb, TaweethamGilbert, AndrewGill, Peter2015-12-101549-9618http://hdl.handle.net/1885/58765We show that the Coulomb operator can be resolved as r12-1 = Σnlm φnlm(r1) φnlm(r2) where φnlm(r) is proportional to the product of a spherical Bessel function and a spherical harmonic, provided that r1 + r2 < 2π. The resolution reduces Coulomb matriResolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution201110.1021/ct200115t2015-12-10