2010年8月
Note on the electron-electron counterbalance hole
THEORETICAL CHEMISTRY ACCOUNTS
- ,
- 巻
- 126
- 号
- 5-6
- 開始ページ
- 383
- 終了ページ
- 385
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1007/s00214-010-0777-8
- 出版者・発行元
- SPRINGER
The electron-electron counterbalance hole implies that two parallel spin electrons cannot be at opposite positions with respect to the spatial inversion center, if it exists. The hole is known to appear for any approximate and exact wave functions with an even inversion parity. We point out that for particular cases, the counterbalance hole also appears when wave functions have an odd inversion parity and two electrons with anti-parallel spins are involved.
- リンク情報
- ID情報
-
- DOI : 10.1007/s00214-010-0777-8
- ISSN : 1432-881X
- Web of Science ID : WOS:000280242400009