Starting from the general context of the time-independent Schrödinger equation, the Hartree–Fock method is presented in a didactic way in order that nonexpert readers can understand some subtle problems arising along the development of the theory. Emphasis is given to the accordance of Slater determinants with the first principles of quantum mechanics and to rationalize in an intuitive way some properties of the Hartree–Fock wave function. The projected equations and Koopmans' theorem are discussed in some detail and the restricted and unrestricted treatments are briefly presented.
The Hartree-Fock Method
CACELLI, IVO
2015-01-01
Abstract
Starting from the general context of the time-independent Schrödinger equation, the Hartree–Fock method is presented in a didactic way in order that nonexpert readers can understand some subtle problems arising along the development of the theory. Emphasis is given to the accordance of Slater determinants with the first principles of quantum mechanics and to rationalize in an intuitive way some properties of the Hartree–Fock wave function. The projected equations and Koopmans' theorem are discussed in some detail and the restricted and unrestricted treatments are briefly presented.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
