| Campo DC | Valor | Idioma |
|---|
| dc.contributor.author | Malbouisson, L. A. C. | - |
| dc.contributor.author | Vianna, J. D. M. | - |
| dc.contributor.author | Maniero, A. M. | - |
| dc.contributor.author | Rocha Neto, J. F. | - |
| dc.creator | Malbouisson, L. A. C. | - |
| dc.creator | Vianna, J. D. M. | - |
| dc.creator | Maniero, A. M. | - |
| dc.creator | Rocha Neto, J. F. | - |
| dc.date.accessioned | 2014-11-11T17:58:15Z | - |
| dc.date.issued | 2002 | - |
| dc.identifier.issn | 0020-7608 | - |
| dc.identifier.uri | http://repositorio.ufba.br/ri/handle/ri/16550 | - |
| dc.description | Texto completo:acesso restrito. p. 1586–1595 | pt_BR |
| dc.description.abstract | A method to solve the electronic Schrödinger equation based on the modified partitioning procedure (MPP) and here denominated extended MPP (EMPP) is presented. We apply this procedure to molecular systems using the Møller–Plesset Hamiltonian. As we will show, it is possible with our approach to develop an optimization procedure to the electronic energy of many-electron systems. An advantage of the EMPP approach is that, in general, its results, with a minor number of configuration state functions, are better than various configuration interaction calculations with a larger number of configurations. | pt_BR |
| dc.language.iso | en | pt_BR |
| dc.rights | Acesso Aberto | pt_BR |
| dc.source | http://dx.doi.org/10.1002/qua.10346 | pt_BR |
| dc.subject | Partitioning technique | pt_BR |
| dc.subject | Moller–Plesset | pt_BR |
| dc.subject | CI | pt_BR |
| dc.subject | Optimized atomic basis sets | pt_BR |
| dc.title | Partitioning technique procedure revisited: Application to many-electron systems using the Møller–Plesset Hamiltonian | pt_BR |
| dc.title.alternative | International Journal of Quantum Chemistry | pt_BR |
| dc.type | Artigo de Periódico | pt_BR |
| dc.identifier.number | v. 90, n. 6 | pt_BR |
| dc.embargo.liftdate | 10000-01-01 | - |
| Aparece nas coleções: | Artigo Publicado em Periódico (FIS)
|
