Quantum Chemical Calculations of Infrared and Raman Intensities for Diatomics on the Basis of the Virial Theorem
Author:
Affiliation:
1. Department of Physics, State Technical University, 2 Acad. Lazaryan St., 320010 Dnepropetrovsk-10, Ukraine
2. Department of Molecular Electronics, Odessa State University, 2 Dvoryanskaya St., 270100 Odessa, Ukraine
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp952813t
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3. Molecular vibrational and rotational motion in static and dynamic electric fields
4. Numerical coupled Hartree–Fock study of the total (electronic and nuclear) parallel polarizability and hyperpolarizability for the FH, H+2, HD+, and D+2 molecules
5. Systematic study of the static electrical properties of the CO molecule: Influence of the basis set size and correlation energy
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1. Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations;The European Physical Journal D;2016-05
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