Automatic Construction of the Initial Orbitals for...

Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems

Wang, Qingchun, Zou, Jingxiang, Xu, Enhua, Pulay, Peter, Li, Shuhua
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00854
Date:
November, 2018
File:
PDF, 854 KB
english, 2018
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