An accurate three-dimensional potential energy surface for the He-Na2 complex

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：gongjuntao

【摘要】

：

An accurate three-dimensional potential energy surface(PES) for the He-Na2 van der Waals comple was calculated at the coupled cluster singles-and-doubles with n

【出处】

：

中国科学：化学英文版

【发表日期】

：

2008年6期

【关键词】

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VAN der WAALS COMPLEX potential energy surface ab INITIO calculation

【基金项目】

：

the Natural Science Foundation of Anhui Educational Committee(Grant No.2006kj072A),the Natural Science Foundation of Anhui Province(Grant No.070416236)

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An accurate three-dimensional potential energy surface(PES) for the He-Na2 van der Waals comple was calculated at the coupled cluster singles-and-doubles with noniterative inclusion of connecte triple(CCSD(T)) level of theory.A mixed basis set,aug-cc-pVQZ

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