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Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory

✍ Scribed by Nakai, Hiromi; Hoshino, Minoru; Miyamoto, Kaito; Hyodo, Shiaki

Book ID
121787405
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
328 KB
Volume
122
Category
Article
ISSN
0021-9606

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Colle-Salvetti-type correction for elect
Colle-Salvetti-type correction for electron–nucleus correlation in the nuclear orbital plus molecular orbital theory
✍ Yutaka Imamura; Hiroyoshi Kiryu; Hiromi Nakai 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 226 KB

## Abstract A Colle‐Salvetti (CS)‐type electron–nucleus correction in the nuclear orbital plus molecular orbital theory is proposed. The CS‐type correction is designed to satisfy the cusp condition for the electron–nucleus interaction. Since the CS‐type correction is expressed in terms of the elect