Сибирский федеральный университет

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 cell 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

• Ovchinnikov Sergey G. (RAS, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Krasnoyarsk 660041, Russia; Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia)
• Gavrichkov Vladimir A. (RAS, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Krasnoyarsk 660041, Russia)
• Korshunov Maxim M. (RAS, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia; Univ Florida, Dept Phys, Gainesville, FL 32611 USA)
• Shneyder Elena I. (RAS, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia; Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia)

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