A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions-Reference-Cited by-同舟云学术

A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions

Published:2012-11-12 Issue:1 Volume:9 Page:520-532
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Garcia-Borràs Marc¹,Solà Miquel¹,Lauvergnat David²,Reis Heribert³,Luis Josep M.¹,Kirtman Bernard⁴

Affiliation:

1. Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus Montilivi, 17071 Girona, Catalonia, Spain

2. Laboratoire de Chimie Physique, CNRS, Bât. 349, UMR 8000, Orsay F-91405, France and Université Paris-Sud, Orsay F-91405, France

3. Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, 48 Vas. Constantinou Ave., Athens 116 35, Greece

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300805p

Reference96 articles.

1. Increase of Third-Order Nonlinear Optical Activity of PbS Quantum Dots in Zeolite Y by Increasing Cation Size

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3. Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal

4. Vibrational corrections to properties at arbitrary reference geometry

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

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