Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules within the Double-Harmonic Approximation: Derivation and Application-Reference-Cited by-同舟云学术

Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules within the Double-Harmonic Approximation: Derivation and Application

Published:2005-06-03 Issue:4 Volume:1 Page:590-596
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pederson Mark R.¹,Baruah Tunna¹,Allen Philip B.¹,Schmidt Christian¹

Affiliation:

1. Center for Computational Materials Science, Code 6390, Naval Research Laboratory, Washington, DC 20375, Department of Electrical and Computer Engineering, Howard University, Washington, DC 20059, and Department of Physics and Astronomy, State University of New York, Stony Brook, New York 11794-3800

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct050061t

Reference54 articles.

1. Nuclear motion and electric hyperpolarizabilities

2. Molecular vibrational and rotational motion in static and dynamic electric fields

3. Static hyperpolarizability of the water dimer and the interaction hyperpolarizability of two water molecules

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