Molecular orbital calculations of nonlinear optical parameters for test molecules of a highly amphoteric and polar molecule (HAPM) Special issue: dedicated to the memory of professor Edgar A. Silinsh March 21, 1927 - May 26, 1998

• Published in: Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals Vol. 355; pp. 319 - 329
• Main Authors: SATO, Naoki, SAKUMA, Taro, YOSHIDA, Hiroyuki, SILINSH, Edgar A, JURGIS, Andrejs J
• Format: Journal Article
• Language: English
• Published: Philadelphia, PA Gordon and Breach 2001
• Subjects: Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Electric and magnetic moments (and derivatives), polarizability and magnetic susceptibility; Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Molecular properties and interactions with photons; Physics; Properties of molecules and molecular ions; Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.); Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models); Amphoteric; Electric polarizability; Ground states; Electronically excited state; Theoretical study; Electron delocalization; Intramolecular charge transfer; Sulfur heterocycle; Electric hyperpolarizability; Optical properties; Electric dipole moments; Semiempirical method; AM1 method; INDO S method; Nonlinear optics; Organic compounds; Dinitrile; Polar molecule
• ISSN: 1058-725X