CUBIC RESPONSE FUNCTIONS IN THE RANDOM-PHASE-APPROXIMATION

被引：51

作者：

NORMAN, P

JONSSON, D

VAHTRAS, O

AGREN, H

机构：

[1] Institute of Physics and Measurement Technology, Linköping University

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 242卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(95)00716-H

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：

Cubic response functions in the random phase approximation have been derived and their use for computations of static and dynamic second hyperpolarizabilities is demonstrated. The performance of implemented computer strategies in terms of direct one-index transformations and of direct atomic orbital constructions of key elements is discussed. A demonstration is given by calculations of various components of the second hyperpolarizability tenser of two linked thiophene rings.

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页码：7 / 16

页数：10

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