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...
Guardado en:
Autores principales: | Torre, A., Lain, L., Bochicchio, R., Ponec, R. |
---|---|
Formato: | JOUR |
Materias: | |
Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_02599791_v32_n3_p241_Torre |
Aporte de: |
Ejemplares similares
-
Topological population analysis from higher order densities II. The correlated case
Publicado: (2002) -
Topological population analysis from higher order densities. I. Hartree-Fock level
por: Bochicchio, R., et al. -
Topological population analysis from higher order densities. I. Hartree-Fock level
por: Bochicchio, Roberto Carlos
Publicado: (2000) -
Nature of nonclassical bonds in closo-boranes: Nonlinear population analysis approach
por: Torre, A., et al. -
Nature of nonclassical bonds in closo-boranes: Nonlinear population analysis approach
Publicado: (1999)