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Physisorption energy of H and H2 on clean Pt(111) as a useful surface energy reference in Quantum Monte Carlo calculation

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More Pub Date : 1900-01-01 DOI:10.1016/BS.AIQ.2019.04.007
Rajesh O. Sharma, P. Hoggan
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清洁Pt(111)上H和H2的物理吸附能作为量子蒙特卡罗计算中有用的表面能参考
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More
State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More
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