Path integral formulation of Roothaan's equations

descriptionPublicationkeyboard_double_arrow_right Article 01 Jun 1988 English Publisher:WileyJournal:International Journal of Quantum Chemistry, volume 33, pages 491-496 (issn: 0020-7608, eissn: 1097-461X,

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Authors: Julio Marañón;

doi: 10.1002/qua.560330603

Path integral formulation of Roothaan's equations

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Abstract

AbstractThe 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.

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National University of La Plata
Argentina

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