A simple method for determining approximate static and dynamic vibrational hyperpolarizabilities
- 8 September 1995
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 103 (10) , 4157-4159
- https://doi.org/10.1063/1.469600
Abstract
A simple method is presented for calculating approximate static and dynamic vibrational hyperpolarizabilities. It involves determining electrical properties in the presence of a static field with and without geometry optimization. This method is readily applicable to all tensor components of a general polyatomic molecule.Keywords
This publication has 19 references indexed in Scilit:
- A Unified Description of Linear and Nonlinear Polarization in Organic Polymethine DyesScience, 1994
- Effect of the surroundings on atomic and molecular propertiesInternational Reviews in Physical Chemistry, 1994
- Molecular electric properties and nuclear and vibrational relaxationMolecular Physics, 1993
- Calculation of vibrational dynamic hyperpolarizabilities for H2O, CO2, and NH3The Journal of Chemical Physics, 1993
- Nuclear contribution to hyperpolarizability of polyconjugated compounds: role of vibrational intensitiesSynthetic Metals, 1993
- Linear and nonlinear polarizabilities of t r a n s-polysilane from a b i n i t i o oligomer calculationsThe Journal of Chemical Physics, 1992
- Molecular vibrational and rotational motion in static and dynamic electric fieldsReviews of Modern Physics, 1990
- Vibrational mode contributions to molecular third order polarizabilitiesMolecular Physics, 1984
- Permanent and Induced Molecular Moments and Long‐Range Intermolecular ForcesAdvances in Chemical Physics, 1967
- Some Studies Concerning Rotating Axes and Polyatomic MoleculesPhysical Review B, 1935