An accurate three-dimensional potential energy surface for the He-Na2complex
β Scribed by Yue Wang; WuYing Huang; ErYin Feng; ZhiFeng Cui
- Book ID
- 107348657
- Publisher
- SP Science China Press
- Year
- 2008
- Tongue
- English
- Weight
- 175 KB
- Volume
- 51
- Category
- Article
- ISSN
- 1674-7291
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π SIMILAR VOLUMES
An accurate three-dimensional interaction potential energy surface of the He-MgH( 2 R + ) van der Waals complex is developed using the partially spin-restricted open-shell single and double excitation coupled cluster method with perturbative triples [RCCSD(T)] level of theory for a large number of g
We present an accurate calculation of the intermolecular potential surface for the van der Waals complex He-H20 using complete fourth-order MΒ’ller-Plesset perturbation theory (MP4) with an efficient basis set containing bond functions. The calculation gives a global minimum at R = 3.15 /~, 0 = 105 Β°