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dc.contributor.author
Fernández, Francisco Marcelo
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dc.date.available
2020-11-19T19:34:50Z
dc.date.issued
2019-12
dc.identifier.citation
Fernández, Francisco Marcelo; Comment on “The consequences of neglecting permutation symmetry in the description of many-electrons systems”; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 119; 23; 12-2019; 1-5
dc.identifier.issn
0020-7608
dc.identifier.uri
http://hdl.handle.net/11336/118677
dc.description.abstract
In this article, we analyze a recently proposed approach for the construction of antisymmetric functions for atomic and molecular systems. It is based on the assumption that the main problems with Hartree‐Fock wavefunctions stem from their lack of proper permutation symmetry. This alternative building approach is based on products of a space times a spin function with opposite permutation symmetry. The main argument for devising such factors is that the eigenfunctions of the nonrelativistic Hamiltonian are either symmetric or antisymmetric with respect to the transposition of the variables of a pair of electrons. However, since the eigenfunctions of the nonrelativistic Hamiltonian are basis for the irreducible representations of the symmetric group, they are not necessarily symmetric or antisymmetric, except in the trivial case of two electrons. We carry out a simple and straightforward general analysis of the symmetry of the eigenfunctions of the nonrelativistic Hamiltonian and illustrate our conclusions by means of two exactly solvable models of N = 2 and N = 3 identical interacting particles.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Inc
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
ELECTRONIC WAVEFUNCTIONS
dc.subject
ASYMMETRIC FUNCTIONS
dc.subject
PERMUTATION SYMMETRY
dc.subject
SYMMETRIC GROUP
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Comment on “The consequences of neglecting permutation symmetry in the description of many-electrons systems”
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-11-17T16:37:25Z
dc.journal.volume
119
dc.journal.number
23
dc.journal.pagination
1-5
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Fernández, Francisco Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
dc.journal.title
International Journal of Quantum Chemistry
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/qua.26020
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.26020
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