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Electron density functions for simple molecules
Trial electron density functions have some conceptual and computational advantages over wave functions. The properties of some simple density functions for H(+)(2) and H(2) are examined. It appears that for a diatomic molecule a good density function would be given by ρ = N(A(2) + B(2)), in which A...
Αποθηκεύτηκε σε:
| Κύριοι συγγραφείς: | , |
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| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
1980
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC348576/ https://ncbi.nlm.nih.gov/pubmed/16592790 |
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