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Generalized Optimized Effective Potential for Orbital Functionals and Self-Consistent Calculation of Random Phase Approximations
A new self-consistent procedure for calculating the total energy with an orbital-dependent density functional approximation (DFA), the generalized optimized effective potential (GOEP), is developed in the present work. The GOEP is a nonlocal Hermitian potential that delivers the sets of occupied and...
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| Veröffentlicht in: | J Phys Chem Lett |
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| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2017
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6209318/ https://ncbi.nlm.nih.gov/pubmed/28895734 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.7b02165 |
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