ABSTRACT
The Schrödinger equation gives the physical laws governing the behavior of the material, and the common goal of conventional ab initio methods consists in solving it within Born-Oppenheimer approximation: H Ψ = E Ψ https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9780367816186/767d793d-9f13-4c30-aebb-695fd6c2bcb0/content/math3_1_B.tif"/>
