Nonlinear population analysis from geminal expansion of pair densities
The nonlinear population analysis of pair densities introduced by one of us (R. B.) is reformulated using the geminal expansion of pair densities. The pair density in the geminal basis is idempotent and allows one to describe the bonding patterns as singlet‐and tripletlike contributions while still...
| Autores principales: | Ponec, R., Bochicchio, R.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00207608_v54_n2_p99_Ponec |
| Aporte de: |
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