FREQUENCY-DEPENDENT POLARIZABILITIES OF O-2 AND VAN-DER-WAALS COEFFICIENTS OF DIMERS CONTAINING O-2

被引：46

作者：

HETTEMA, H

WORMER, PES

JORGENSEN, P

JENSEN, HJA

HELGAKER, T

机构：

[1] UNIV AARHUS,DEPT CHEM,DK-8200 AARHUS C,DENMARK

[2] ODENSE UNIV,DEPT CHEM,DK-5230 ODENSE M,DENMARK

[3] UNIV OSLO,DEPT CHEM,N-0315 OSLO 3,NORWAY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 02期

关键词：

D O I：

10.1063/1.467256

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：

We report frequency-dependent dipole and quadrupole polarizabilities of the oxygen molecule in its (3) Sigma(g)(-) ground state. These properties are obtained by means of the multiconfiguration self-consistent field method and used for the computation of the van der Waals coefficients of (O-2)(2) and the O-2-Rg dimers, where Rg is He, Ne, Ar, and Kr. The required frequency-dependent polarizabilities of the rare gases were computed earlier by means of second-order many body perturbation theory.

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页码：1297 / 1302

页数：6

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共 40 条

[1] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2 [J].

AHLRICHS, R ;

SCHARF, P ;

JANKOWSKI, K .

CHEMICAL PHYSICS, 1985, 98 (03) :381-386

[2] FREQUENCY-DEPENDENT POLARIZABILITIES IN A MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK APPROXIMATION [J].

ALBERTSEN, P ;

JORGENSEN, P ;

YEAGER, DL .

MOLECULAR PHYSICS, 1980, 41 (02) :409-420

[3] THE NE-O2 POTENTIAL-ENERGY SURFACE FROM HIGH-RESOLUTION DIFFRACTION AND GLORY SCATTERING EXPERIMENTS AND FROM THE ZEEMAN SPECTRUM [J].

BENEVENTI, L ;

CASAVECCHIA, P ;

PIRANI, F ;

VECCHIOCATTIVI, F ;

VOLPI, GG ;

BROCKS, G ;

VANDERAVOIRD, A ;

HEIJMEN, B ;

REUSS, J .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (01) :195-204

[4] HIGH-RESOLUTION TOTAL DIFFERENTIAL CROSS-SECTIONS FOR SCATTERING OF HELIUM BY O-2, N-2, AND NO [J].

BENEVENTI, L ;

CASAVECCHIA, P ;

VOLPI, GG .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (12) :7011-7029

[5] POLARIZATION OF LASER LIGHT SCATTERED BY GASES [J].

BRIDGE, NJ ;

BUCKINGHAM, AD .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1442) :334-+

[6] QUADRUPOLE MOMENTS OF SOME SIMPLE MOLECULES [J].

BUCKINGHAM, AD ;

DISCH, RL ;

DUNMUR, DA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (12) :3104-+

[7] A VAN-DER-WAALS INTERMOLECULAR POTENTIAL FOR (O2)2 [J].

BUSSERY, B ;

WORMER, PES .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (02) :1230-1239

[8] THE INFLUENCE OF RETARDATION ON THE LONDON-VANDERWAALS FORCES [J].

CASIMIR, HBG ;

POLDER, D .

PHYSICAL REVIEW, 1948, 73 (04) :360-372

[9] 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

[10] INFLUENCE OF POTENTIAL FUNCTION ON DETERMINATION OF MULTIPOLE MOMENTS FROM PRESSURE-INDUCED FAR-INFRARED SPECTRA [J].

COHEN, ER ;

BIRNBAUM, G .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (06) :2443-2447

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