THE HYPERPOLARIZABILITY OF NEON REVISITED

被引：18

作者：

CHRISTIANSEN, O

JORGENSEN, P

机构：

[1] Department of Chemistry, Aarhus University

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 207卷 / 4-6期

关键词：

D O I：

10.1016/0009-2614(93)89015-A

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：

The static second hyperpolarizability of Ne has been calculated using large restricted active space (RAS) single double and single double triple quadruple excitation wavefunctions. The hyperpolarizability is estimated to be 106 +/- 5 au in agreement with the recent experimental result of 108 +/- 2 au by Shelton.

引用

页码：367 / 371

页数：5

共 16 条

[1] ANOMALOUS HYPERPOLARIZABILITY DISPERSION MEASURED FOR NEON - COMMENT [J].

BISHOP, DM .

PHYSICAL REVIEW LETTERS, 1990, 65 (13) :1688-1688

[2] KERR EFFECT IN INERT GASES AND SULPHUR HEXAFLUORIDE [J].

BUCKINGHAM, AD ;

DUNMUR, DA .

TRANSACTIONS OF THE FARADAY SOCIETY, 1968, 64 (547P) :1776-+

[3] THEORETICAL-STUDY OF POLARIZABILITIES AND HYPERPOLARIZABILITIES OF NE, HF, F-, AND OH- [J].

CHONG, DP ;

LANGHOFF, SR .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (01) :570-578

[4] QUADRATIC RESPONSE FUNCTIONS FOR A MULTICONFIGURATIONAL SELF-CONSISTENT FIELD WAVE-FUNCTION [J].

HETTEMA, H ;

JENSEN, HJA ;

JORGENSEN, P ;

OLSEN, J .

JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (02) :1174-1190

[5] THE HYPERPOLARIZABILITY DISPERSION OF NEON IS NOT ANOMALOUS [J].

JENSEN, HJA ;

JORGENSEN, P ;

HETTEMA, H ;

OLSEN, J .

CHEMICAL PHYSICS LETTERS, 1991, 187 (04) :387-390

[6]

KOBAYASHI RM, IN PRESS

[7] INTEGRATED DIPOLE OSCILLATOR-STRENGTHS AND DIPOLE PROPERTIES FOR NE, AR, KR, XE, HF, HCL, AND HBR [J].

KUMAR, A ;

MEATH, WJ .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :1616-1630

[8] HYPERPOLARIZABILITIES AND POLARIZABILITIES OF NEON - DISCREPANCY BETWEEN THEORY AND EXPERIMENT [J].

MAROULIS, G ;

THAKKAR, AJ .

CHEMICAL PHYSICS LETTERS, 1989, 156 (01) :87-90

[9] DETERMINANT BASED CONFIGURATION-INTERACTION ALGORITHMS FOR COMPLETE AND RESTRICTED CONFIGURATION-INTERACTION SPACES [J].

OLSEN, J ;

ROOS, BO ;

JORGENSEN, P ;

JENSEN, HJA .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04) :2185-2192

[10] LINEAR AND NONLINEAR RESPONSE FUNCTIONS FOR AN EXACT STATE AND FOR AN MCSCF STATE [J].

OLSEN, J ;

JORGENSEN, P .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (07) :3235-3264

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