Quantum mechanical studies of molecular hyperpolarizabilities
Abstract
The objectives of this effort are threefold: develop state-of-the-art quantum mechanical methods to predict, from first principles, hyperpolarizabilities of atoms and molecules; determine why previous theoretical calculations have not been able to even provide order of magnitude estimates of experimental hyperpolarizabilities; and apply the quantum mechanical techniques developed in this work to predict hyperpolarizabilities and non-linear susceptibilities for a number of atoms and molecules of interest. This effort will provide complementary information to on-going experimental efforts directed toward obtaining hyperpolarizabilities.
- Publication:
-
Final Technical Report Battelle Columbus Labs
- Pub Date:
- April 1980
- Bibcode:
- 1980bclo.rept......
- Keywords:
-
- Frequency Multipliers;
- Laser Pumping;
- Quantum Theory;
- Electric Fields;
- Kerr Magnetooptical Effect;
- Water Vapor;
- Lasers and Masers