Premium
Path integral formulation of Roothaan's equations
Author(s) -
Marañón Julio
Publication year - 1988
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560330603
Subject(s) - path integral formulation , atomic orbital , saddle point , equations of motion , subspace topology , action (physics) , electron , quantum , quantum chemistry , point (geometry) , physics , classical mechanics , quantum mechanics , mathematical physics , mathematics , molecule , mathematical analysis , geometry , supramolecular chemistry
The generating functional Z ( N ) of the molecular orbital theory of N electrons has been projected into a subspace of atomic orbitals. By application of the saddle‐Point approximataions to the corresponding effective action, a set of equations of motion results. These equations are the classical Roothaan's equations of quantum chemistry.