Topological population analysis from higher order densities II. The correlated case
This work describes the mathematical aspects of the generalization of our earlier study of topological population analysis [J. Math. Chem. 28 (2000) 83] beyond the scope of HF approximation. The paper shows the relation of this general approach to earlier, heuristically introduced, procedures of pop...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_02599791_v32_n3_p241_Torre |
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todo:paper_02599791_v32_n3_p241_Torre2023-10-03T15:11:43Z Topological population analysis from higher order densities II. The correlated case Torre, A. Lain, L. Bochicchio, R. Ponec, R. Bond orders Multicenter bond indices Population analysis article correlation function covariance mathematical analysis mathematical model population density population research topography This work describes the mathematical aspects of the generalization of our earlier study of topological population analysis [J. Math. Chem. 28 (2000) 83] beyond the scope of HF approximation. The paper shows the relation of this general approach to earlier, heuristically introduced, procedures of population analysis, exemplified by the Mulliken population analysis and its subsequent extensions which are straightforwardly derived from this framework as particular cases. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_02599791_v32_n3_p241_Torre |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Bond orders Multicenter bond indices Population analysis article correlation function covariance mathematical analysis mathematical model population density population research topography |
| spellingShingle |
Bond orders Multicenter bond indices Population analysis article correlation function covariance mathematical analysis mathematical model population density population research topography Torre, A. Lain, L. Bochicchio, R. Ponec, R. Topological population analysis from higher order densities II. The correlated case |
| topic_facet |
Bond orders Multicenter bond indices Population analysis article correlation function covariance mathematical analysis mathematical model population density population research topography |
| description |
This work describes the mathematical aspects of the generalization of our earlier study of topological population analysis [J. Math. Chem. 28 (2000) 83] beyond the scope of HF approximation. The paper shows the relation of this general approach to earlier, heuristically introduced, procedures of population analysis, exemplified by the Mulliken population analysis and its subsequent extensions which are straightforwardly derived from this framework as particular cases. |
| format |
JOUR |
| author |
Torre, A. Lain, L. Bochicchio, R. Ponec, R. |
| author_facet |
Torre, A. Lain, L. Bochicchio, R. Ponec, R. |
| author_sort |
Torre, A. |
| title |
Topological population analysis from higher order densities II. The correlated case |
| title_short |
Topological population analysis from higher order densities II. The correlated case |
| title_full |
Topological population analysis from higher order densities II. The correlated case |
| title_fullStr |
Topological population analysis from higher order densities II. The correlated case |
| title_full_unstemmed |
Topological population analysis from higher order densities II. The correlated case |
| title_sort |
topological population analysis from higher order densities ii. the correlated case |
| url |
http://hdl.handle.net/20.500.12110/paper_02599791_v32_n3_p241_Torre |
| work_keys_str_mv |
AT torrea topologicalpopulationanalysisfromhigherorderdensitiesiithecorrelatedcase AT lainl topologicalpopulationanalysisfromhigherorderdensitiesiithecorrelatedcase AT bochicchior topologicalpopulationanalysisfromhigherorderdensitiesiithecorrelatedcase AT ponecr topologicalpopulationanalysisfromhigherorderdensitiesiithecorrelatedcase |
| _version_ |
1782024779637719040 |