Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
The coefficients of full configuration interaction wave functions (FCI) for N-electron systems expanded in N-electron Slater determinants depend on the orthonormal one-particle basis chosen although the total energy remains invariant. Some bases result in more compact wave functions, i.e. result in...
Guardado en:
| Autores principales: | Alcoba, Diego Ricardo, Torre, Alicia, Lain, Luis, Massaccesi, Gustavo E., Oña, Ofelia Beatriz, Ayers, Paul W., Van Raemdonck, Mario, Bultinck, Patrick, Van Neck, Dimitri |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2016
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/127045 |
| Aporte de: |
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