Φορτώνει......
Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral Approach
Recently, the quantum topological energy partitioning method called interacting quantum atoms (IQA) has been extended to MPn (n = 2, 3, 4) wave functions. This enables the extraction of chemical insight related to dynamic electron correlation. The large computational expense of the IQA‐MPn approach...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Comput Chem |
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| Κύριοι συγγραφείς: | , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
John Wiley & Sons, Inc.
2019
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6900022/ https://ncbi.nlm.nih.gov/pubmed/31373709 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.26037 |
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