The perturbation theory for non-degenerate states and the extended Hückel method

Abstract:

A formal study of the perturbation theory of the pseudosecular equations and particularly of those within the framework of the EHT method, proposed by Hoffmann, is given. In the case of the first-order perturbation in the hamiltonian matrix, it is shown that the classical and the present formalisms are equivalent. In the other more general cases, the recurrence formulae in the n-th order for the eigenvalues and eigenvectors are also given. © 1970 Springer-Verlag.

Año de publicación:

1970

Keywords:

Fuente:

scopus