Functional analysis concepts and Hartree-Fock instability conditions

Detalhes bibliográficos
Autor(a) principal: Silva, G. Magela e
Data de Publicação: 1993
Outros Autores: Malbouisson, L. A. C., Brito, A. Naves de, Vianna, J.D.M.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/13171
Resumo: Texto completo. Acesso restrito. p. 317-330
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spelling Silva, G. Magela eMalbouisson, L. A. C.Brito, A. Naves deVianna, J.D.M.Silva, G. Magela eMalbouisson, L. A. C.Brito, A. Naves deVianna, J.D.M.2013-10-09T19:45:03Z2013-10-09T19:45:03Z19930259-9791http://www.repositorio.ufba.br/ri/handle/ri/13171Texto completo. Acesso restrito. p. 317-330Concepts of functional analysis, namely, regular points, tangent subspaces, constraint surfaces, Lagrangian matrix restricted to the tangent subspace of a constraint surface, are presented in connection with the Hartree-Fock (HF) problem. The energy functional in LCAO approximation is considered to be a polynomial function of several variables subject to subsidiary conditions. General HF equations and instability conditions for the unrestricted Hartree- Fock (UHF) solutions are derived from this standpoint.Submitted by Santiago Fabio (fabio.ssantiago@hotmail.com) on 2013-09-17T19:24:16Z No. of bitstreams: 1 777777777777777.pdf: 801522 bytes, checksum: ae668cba6d379099dcb00fa558a59139 (MD5)Approved for entry into archive by Rodrigo Meirelles(rodrigomei@ufba.br) on 2013-10-09T19:45:03Z (GMT) No. of bitstreams: 1 777777777777777.pdf: 801522 bytes, checksum: ae668cba6d379099dcb00fa558a59139 (MD5)Made available in DSpace on 2013-10-09T19:45:03Z (GMT). No. of bitstreams: 1 777777777777777.pdf: 801522 bytes, checksum: ae668cba6d379099dcb00fa558a59139 (MD5) Previous issue date: 1993SalvadorJournal of Mathematical Chemistryhttp://download.springer.com/static/pdf/781/art%253A10.1007%252FBF01165572.pdf?auth66=1379618710_ad99db9d5675fff02418d542499d88bb&ext=.pdfreponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAFunctional analysis concepts and Hartree-Fock instability conditionsJournal of Mathematical Chemistryinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleenginfo:eu-repo/semantics/openAccessLICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/13171/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52ORIGINAL777777777777777.pdf777777777777777.pdfapplication/pdf801522https://repositorio.ufba.br/bitstream/ri/13171/1/777777777777777.pdfae668cba6d379099dcb00fa558a59139MD51TEXT777777777777777.pdf.txt777777777777777.pdf.txtExtracted texttext/plain25864https://repositorio.ufba.br/bitstream/ri/13171/3/777777777777777.pdf.txtae73dff3e60b1a6b7c96b6fdff93e7ecMD53ri/131712022-07-05 14:03:49.249oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:49Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Functional analysis concepts and Hartree-Fock instability conditions
dc.title.alternative.pt_BR.fl_str_mv Journal of Mathematical Chemistry
title Functional analysis concepts and Hartree-Fock instability conditions
spellingShingle Functional analysis concepts and Hartree-Fock instability conditions
Silva, G. Magela e
title_short Functional analysis concepts and Hartree-Fock instability conditions
title_full Functional analysis concepts and Hartree-Fock instability conditions
title_fullStr Functional analysis concepts and Hartree-Fock instability conditions
title_full_unstemmed Functional analysis concepts and Hartree-Fock instability conditions
title_sort Functional analysis concepts and Hartree-Fock instability conditions
author Silva, G. Magela e
author_facet Silva, G. Magela e
Malbouisson, L. A. C.
Brito, A. Naves de
Vianna, J.D.M.
author_role author
author2 Malbouisson, L. A. C.
Brito, A. Naves de
Vianna, J.D.M.
author2_role author
author
author
dc.contributor.author.fl_str_mv Silva, G. Magela e
Malbouisson, L. A. C.
Brito, A. Naves de
Vianna, J.D.M.
Silva, G. Magela e
Malbouisson, L. A. C.
Brito, A. Naves de
Vianna, J.D.M.
description Texto completo. Acesso restrito. p. 317-330
publishDate 1993
dc.date.issued.fl_str_mv 1993
dc.date.accessioned.fl_str_mv 2013-10-09T19:45:03Z
dc.date.available.fl_str_mv 2013-10-09T19:45:03Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/13171
dc.identifier.issn.none.fl_str_mv 0259-9791
identifier_str_mv 0259-9791
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dc.language.iso.fl_str_mv eng
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dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv Journal of Mathematical Chemistry
publisher.none.fl_str_mv Journal of Mathematical Chemistry
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