EXPLICIT NONDIVERGENT FORMULAS FOR ATOMIC AND MOLECULAR DYNAMIC HYPERPOLARIZABILITIES

被引:138
作者
BISHOP, DM
机构
[1] Department of Chemistry, University of Ottawa, Ottawa
关键词
D O I
10.1063/1.467062
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Two methods are used to develop nondivergent, compact, sum-over-states formulas for dynamic hyperpolarizabilities up to fifth order. Expressions for both atoms and molecules are given; those at fourth and fifth order for the first time. The fifth-order formula is related to such nonlinear optical phenomena as stimulated hyper-Raman scattering and the self-induced intensity-dependent refractive index. Questions of time-reversal invariance are also discussed. Importantly, the derivations explicitly take into account secular divergences in a simple and clear way.
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收藏
页码:6535 / 6542
页数:8
相关论文
共 14 条
[11]   FORMULAE FOR NON-DEGENERATE RAYLEIGH-SCHRODINGER PERTURBATION THEORY IN ANY ORDER [J].
HUBY, R .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1961, 78 (502) :529-&
[12]   ON THE CALCULATION OF THE HYPERPOLARIZABILITIES OF ORGANIC-MOLECULES BY THE SUM OVER VIRTUAL EXCITED-STATES METHOD [J].
MORLEY, JO ;
PAVLIDES, P ;
PUGH, D .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 43 (01) :7-26
[13]   PERTURBATION THEORY OF NON-LINEAR OPTICAL POLARIZATION OF AN ISOLATED SYSTEM [J].
ORR, BJ ;
WARD, JF .
MOLECULAR PHYSICS, 1971, 20 (03) :513-+
[14]  
SHELTON DP, IN PRESS CHEM REV