ロード中...
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...
保存先:
| 出版年: | J Comput Chem |
|---|---|
| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
John Wiley & Sons, Inc.
2019
|
| 主題: | |
| オンライン･アクセス: | 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 |
| タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|