Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities

Ireneusz W. Bulik, Robert Zalesny, Wojciech Bartkowiak, Josep M. Luis, Bernard Kirtman, Gustavo E. Scuseria, Aggelos Avramopoulos, Heribert Reis, Manthos G. Papadopoulos. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. Journal of Computational Chemistry, 34(20):1775-1784, 2013. [doi]

Abstract

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