Hyperpolarizabilities of extended molecular mechanical systems-Reference-Cited by-同舟云学术

Hyperpolarizabilities of extended molecular mechanical systems

Published:2016 Issue:12 Volume:18 Page:8710-8722
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Harczuk Ignat¹²³⁴⁵,Vahtras Olav¹²³⁴⁵,Ågren Hans¹²³⁴⁵

Affiliation:

1. KTH Royal Institute of Technology

2. School of Biotechnology

3. Division of Theoretical Chemistry and Biology

4. SE-106 91 Stockholm

5. Sweden

Abstract

The equations for decomposition of the molecular hyperpolarizabilty into atomic sites is derived alongside with equations to calculate the cluster hyperpolarizability as resulting from the second order induced dipole moments in the point-dipole model.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP06688C

Reference34 articles.

1. Atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities

2. VII. Molecular refractivity and atomic interaction

3. L. Molecular refractivity and atomic interaction. II

4. The refractive index dispersion and polarization of gases

5. Molecular polarizabilities calculated with a modified dipole interaction

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