Calculation of optical second-harmonic susceptibilities and optical activity for crystals

Conference · Sat Dec 31 00:00:00 EST 1994

OSTI ID:107062

Levine, Z H ^[1]

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1. Ohio State Univ., Columbus, OH (United States)

A new generation of nearly first-principles calculations predicts both the linear and second-harmonic susceptibilities for a variety of insulating crystals, including GaAs, GaP, AlAs, AlP, Se, {alpha}-quartz, and c-urea. The results are typically in agreement with experimental measurements. The calculations have been extended to optical activity, with somewhat less success to date. The theory, based on a simple self-energy correction to the local density approximation, and results are reviewed herein.

• OSTI ID: 107062
• Report Number(s): CONF-9402143-; TRN: 95:020939
• Resource Relation: Conference: Atomic, molecular, and condensed matter theory and computational methods, Ponte Vedra Beach, FL (United States), 12-19 Feb 1994; Other Information: PBD: 1994; Related Information: Is Part Of Proceedings of the international symposium on atomic, molecular and condensed matter theory and computational methods; Loewdin, P.O.; Oehrn, N.Y.; Sabin, J.R.; Zerner, M.C. [eds.] [Florida Univ., Gainesville, FL (United States)]; PB: 714 p.
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
GALLIUM COMPOUNDS
OPTICAL PROPERTIES
ALUMINIUM COMPOUNDS
ASTATINE COMPOUNDS
PHOSPHIDES
SELENIUM
QUARTZ
UREA
MATHEMATICAL MODELS
QUANTUM MECHANICS
HARMONICS
OPTICAL ACTIVITY
CRYSTALS