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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2002
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02599791_v32_n3_p241_Torre http://hdl.handle.net/20.500.12110/paper_02599791_v32_n3_p241_Torre |
| Aporte de: |
| Sumario: | 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. |
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