Computation of Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Motions. III. Arbitrary Double-Well Potentials-Reference-Cited by-同舟云学术

Computation of Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Motions. III. Arbitrary Double-Well Potentials

Published:2013-11-27 Issue:1 Volume:10 Page:236-242
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Reis H.¹,Luis J. M.²,Garcia−Borràs M.²,Kirtman B.³

Affiliation:

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

2. Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Campus de Montilivi, 17071 Girona, Catalonia, Spain

3. Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, United States of America

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400938a

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1. The electronic, vibrational and rotational contributions to the dipole moment, polarizability, and first and second hyperpolarizabilities of the BH molecule

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4. Hyperpolarizabilities of the methanol molecule: A CCSD calculation including vibrational corrections

5. Electronic and vibrational contributions to first hyperpolarizability of donor–acceptor-substituted azobenzene

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