載入...
Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation
A novel treatment of non-adiabatic couplings is proposed. The derivation is based on a theorem by Hunter stating that the wave function of the complete system of electrons and nuclei can be written, without approximation, as a Born–Oppenheimer (BO)-type product of a nuclear wave function, X(R), and...
Na minha lista:
| Main Authors: | , |
|---|---|
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
The Royal Society Publishing
2014
|
| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3928867/ https://ncbi.nlm.nih.gov/pubmed/24516183 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2013.0059 |
| 標簽: |
添加標簽
沒有標簽, 成為第一個標記此記錄!
|