Performance of Gradient-Corrected and Hybrid Density...

Journal of Chemical Theory and Computation 2012 / 12 Vol. 8; Iss. 12

Performance of Gradient-Corrected and Hybrid Density Functional Theory: Role of the Underlying Local Density Approximation and the Gradient Correction

Chan, Bun, Gill, Peter M. W., Radom, Leo
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Volume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300603d
Date:
December, 2012
File:
PDF, 227 KB
english, 2012
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