Тип публикации: доклад, тезисы доклада, статья из сборника материалов конференций
Год издания: 2012
Идентификатор DOI: 10.1007/978-3-642-21831-6_5
Аннотация: We present the multielectron LDA+GTB (local density approximation plus generalized tight-binding) approach to the electronic structure calculations for the Mott insulators. This method is a straightforward generalization of the Hubbard perturbation theory which starts from the atomic limit. All local interactions within the unit ceПоказать полностьюll are treated by the exact diagonalization of the multiband p - d Hamiltonian with the parameters calculated within LDA. Intercell Hoppings and interactions between the unit cells are considered as perturbation within the Hubbard X-operators representation. We also discuss the application of the LDA+GTB method to cuprates, manganites, and cobaltites.
Журнал: STRONGLY CORRELATED SYSTEMS: THEORETICAL METHODS
Выпуск журнала: Vol. 171
Номера страниц: 143-171
ISSN журнала: 01711873
Место издания: BERLIN
Издатель: SPRINGER-VERLAG BERLIN