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

Author:

Bulik Ireneusz W.1,Zaleśny Robert2,Bartkowiak Wojciech2,Luis Josep M.3,Kirtman Bernard4,Scuseria Gustavo E.,Avramopoulos Aggelos5,Reis Heribert5,Papadopoulos Manthos G.5

Affiliation:

1. Department of Chemistry; Rice University; 6100 Main Street; Houston; Texas; 77005-1892

2. Faculty of Chemistry, Theoretical Chemistry Group; Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology; Wyb. Wyspiańskiego 27, PL-50370 Wrocław; Poland

3. Institute of Computational Chemistry and Catalysis (IQCC), Department of Chemistry; University of Girona; Campus Montilivi, 17071 Girona; Spain

4. Department of Chemistry and Biochemistry; University of California; Santa Barbara; California; 93106

5. Institute of Biology, Medicinal Chemistry and Biotechnolology, The National Hellenic Research Foundation 48 Vas. Constantinou Avenue; 11635; Athens; Greece

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

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