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pro vyhledávání: '"Massaccesi, Gustavo Ernesto"'
Autor:
Alcoba, Diego Ricardo, Torre, Alicia, Lain, Luis, Oña, Ofelia Beatriz, Massaccesi, Gustavo Ernesto, Capuzzi, Pablo
In this work we project the Hamiltonian of an N-electron system onto a set of N-electron determinants cataloged by their seniority numbers and their excitation levels with respect to a reference determinant. We show that, in open-shell systems, the d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::89c8aaa016507f32f311a178a7ba9059
https://www.sciencedirect.com/science/article/pii/S0065327617300400
https://www.sciencedirect.com/science/article/pii/S0065327617300400
Autor:
Poelmans, W., Van Raemdonck, M., Verstichel, B., De Baerdemacker, S., Torre, Alicia, Lain, Luis, Massaccesi, Gustavo Ernesto, Alcoba, Diego Ricardo, Bultinck, B., Van Neck, D.
We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::060e6f5bead8cc623fe6cdc3b26a6d9e
https://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00378
https://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00378