Ab-initio Quantum Chemistry Through Computer Algebra
Ichio Kikuchi & Akihito Kikuchi · Asian Journal of Research and Reviews in Physics · 2022
In this article, we demonstrate the first-principles computation of quantum chemistry through symbolic computation, using computational algebraic geometry. We generate symbolic formulas of one- and twoelectron integrals. The approximations of those integrals by multivariate polyn...
Open access
Research Article
10.9734/ajr2p/2022/v6i4126