The interaction potentials for He-He and He-Li+

作者: Hiroshi Tatewaki , Kiyoshi Tanaka , Yuichi Ohno , Takashi Nakamura

DOI: 10.1080/00268978400102241

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摘要: The He-He and He-Li+ potentials are investigated by means of extensive STO SCF configuration interaction calculations. calculated molecular constants r m em 5·61 a.u. 9·81 K for which very close to experiment. potential curve is also considered be reliable; m=3·63 em=0·072 eV.

参考文章(44)
J. E. Jordan, I. Amdur, Scattering of High‐Velocity Neutral Particles. XIV. He–He Interaction below 1.1 Å The Journal of Chemical Physics. ,vol. 46, pp. 165- 183 ,(1967) , 10.1063/1.1840368
Annie Meunier, Bernard L�vy, Gaston Berthier, Corrélation électronique et effets de base dans l'étude de la liaison hydrogène: le dimère mixte ammoniac-eau Theoretical Chemistry Accounts. ,vol. 29, pp. 49- 55 ,(1973) , 10.1007/BF00528166
Miroslav Urban, Pavel Hobza, Weak intermolecular interaction Theoretical Chemistry Accounts. ,vol. 36, pp. 215- 220 ,(1975) , 10.1007/BF00572561
M. Krauss, P. Maldonado, Arnold C. Wahl, Interaction Energy Curves of LiHe and NaHe (X 2Σ+, A 2Π, B 2Σ+) and X 1Σ+ Ions The Journal of Chemical Physics. ,vol. 54, pp. 4944- 4953 ,(1971) , 10.1063/1.1674773
C. F. Curtiss, J. O. Hirschfelder, R. B. Bird, Molecular theory of gases and liquids ,(1954)
Włodzimierz Kołos, Possible improvements of the interaction energy calculated using minimal basis sets Theoretical Chemistry Accounts. ,vol. 51, pp. 219- 240 ,(1979) , 10.1007/BF00572929