THE NE-O2 POTENTIAL-ENERGY SURFACE FROM HIGH-RESOLUTION DIFFRACTION AND GLORY SCATTERING EXPERIMENTS AND FROM THE ZEEMAN SPECTRUM

被引:31
作者
BENEVENTI, L [1 ]
CASAVECCHIA, P [1 ]
PIRANI, F [1 ]
VECCHIOCATTIVI, F [1 ]
VOLPI, GG [1 ]
BROCKS, G [1 ]
VANDERAVOIRD, A [1 ]
HEIJMEN, B [1 ]
REUSS, J [1 ]
机构
[1] CATHOLIC UNIV NIJMEGEN,INST THEORET CHEM & FYS LAB,NIJMEGEN,NETHERLANDS
关键词
DIFFERENTIAL CROSS-SECTIONS; ANISOTROPIC INTERMOLECULAR POTENTIALS; RANGE DISPERSION COEFFICIENTS; FOCK SCF CALCULATIONS; RARE-GAS OXIDES; ROTATIONAL TEMPERATURE; SUDDEN APPROXIMATIONS; INELASTIC-SCATTERING; MIXTURES; COLLISIONS;
D O I
10.1063/1.461475
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 full anisotropic potential energy surface for the Ne-O2 van der Waals molecule has been obtained from the simultaneous analysis of total differential cross section data with well resolved diffraction oscillations and of absolute total integral cross section data with glory structure measured in Perugia, of the Zeeman spectrum measured in Nijmegen, and of transport coefficients taken from literature. The anisotropy of the interaction is obtained from the Zeeman spectrum using both numerical and analytical approaches for the energy levels, and from the quenching of the diffraction oscillations in the total differential cross section within the infinite-order-sudden approximation. The latter approximation is practically exact under the experimental conditions, as previously shown for the similar Ne-N2 system by comparison with exact close-coupling scattering calculations. The derived potential energy surface represents a dramatic improvement with respect to a previous approximate estimate.
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页码:195 / 204
页数:10
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