Ab initio calculations on accurate dissociation energy,equilibrium geometry, and analytic potential energy function for

The accurate dissociation energy and equilibrium geometry of the b3П state of 7LiH molecule is calculated using a symmetry-adapted-cluster configuration-interaction method in full active space.

作 者： Deheng Shi Yufang Liu Jinfeng Sun Zunlue Zhu Xiangdong Yang   作者單位： Deheng Shi(College of Physics & Electronic Engineering, Xinyang Normal University, Xinyang 464000;College of Physics & Information Engineering, Henan Normal University,Xinxiang 453007;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065)

Yufang Liu(College of Physics & Information Engineering, Henan Normal University, Xinxiang 453007)

Jinfeng Sun,Zunlue Zhu(College of Physics & Information Engineering, Henan Normal University, Xinxiang 453007;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065)

Xiangdong Yang(Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065) 

刊 名： 中國光學快報（英文版）  EI SCI 英文刊名： CHINESE OPTICS LETTERS  年，卷(期)： 2005 3(12)  分類號：   關鍵詞：  

《Ab initio calculations on accurate dissociation energy,equilibrium geometry, and analytic potential energy function for.doc》

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