Note: Energy convexity and density matrices in molecular systems
A novel appropriate definition for the density matrix for an interacting Coulombic driven atomic or molecular system with non-integer number of particles is given. Our approach leads to a direct derivation of the proposal reported by Perdew [Phys. Rev. Lett. 49, 1691 (1982)]10.1103/P...
Guardado en:
| Autores principales: | , |
|---|---|
| Formato: | Artículo publishedVersion |
| Publicado: |
2012
|
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v137_n22_p_Bochicchio https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v137_n22_p_Bochicchio_oai |
| Aporte de: |
| id |
I28-R145-paper_00219606_v137_n22_p_Bochicchio_oai |
|---|---|
| record_format |
dspace |
| spelling |
I28-R145-paper_00219606_v137_n22_p_Bochicchio_oai2024-08-16 Bochicchio, R.C. Rial, D. 2012 A novel appropriate definition for the density matrix for an interacting Coulombic driven atomic or molecular system with non-integer number of particles is given. Our approach leads to a direct derivation of the proposal reported by Perdew [Phys. Rev. Lett. 49, 1691 (1982)]10.1103/PhysRevLett.49.1691 and points out its suitability and perspective advances. © 2012 American Institute of Physics. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Rial, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. application/pdf http://hdl.handle.net/20.500.12110/paper_00219606_v137_n22_p_Bochicchio info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar J Chem Phys 2012;137(22) Density matrix Molecular systems Quantum theory Matrix algebra Note: Energy convexity and density matrices in molecular systems info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v137_n22_p_Bochicchio_oai |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-145 |
| collection |
Repositorio Digital de la Universidad de Buenos Aires (UBA) |
| topic |
Density matrix Molecular systems Quantum theory Matrix algebra |
| spellingShingle |
Density matrix Molecular systems Quantum theory Matrix algebra Bochicchio, R.C. Rial, D. Note: Energy convexity and density matrices in molecular systems |
| topic_facet |
Density matrix Molecular systems Quantum theory Matrix algebra |
| description |
A novel appropriate definition for the density matrix for an interacting Coulombic driven atomic or molecular system with non-integer number of particles is given. Our approach leads to a direct derivation of the proposal reported by Perdew [Phys. Rev. Lett. 49, 1691 (1982)]10.1103/PhysRevLett.49.1691 and points out its suitability and perspective advances. © 2012 American Institute of Physics. |
| format |
Artículo Artículo publishedVersion |
| author |
Bochicchio, R.C. Rial, D. |
| author_facet |
Bochicchio, R.C. Rial, D. |
| author_sort |
Bochicchio, R.C. |
| title |
Note: Energy convexity and density matrices in molecular systems |
| title_short |
Note: Energy convexity and density matrices in molecular systems |
| title_full |
Note: Energy convexity and density matrices in molecular systems |
| title_fullStr |
Note: Energy convexity and density matrices in molecular systems |
| title_full_unstemmed |
Note: Energy convexity and density matrices in molecular systems |
| title_sort |
note: energy convexity and density matrices in molecular systems |
| publishDate |
2012 |
| url |
http://hdl.handle.net/20.500.12110/paper_00219606_v137_n22_p_Bochicchio https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v137_n22_p_Bochicchio_oai |
| work_keys_str_mv |
AT bochicchiorc noteenergyconvexityanddensitymatricesinmolecularsystems AT riald noteenergyconvexityanddensitymatricesinmolecularsystems |
| _version_ |
1809356876508299264 |