Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities-Reference-Cited by-同舟云学术

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

Published:2013-05-16 Issue:20 Volume:34 Page:1775-1784
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

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

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23316/fullpdf

Reference85 articles.

1. Design and construction of molecular assemblies with large second-order optical nonlinearities. Quantum chemical aspects

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3. Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures

4. Simulations of vibronic profiles in two-photon absorption

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