H3+ POTENTIAL SURFACE

被引：68

作者：

DYKSTRA, CE ^{[1
]}

SWOPE, WC ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 70卷 / 01期

关键词：

D O I：

10.1063/1.437223

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：

An accurate potential surface of 68 grid points for the H3 + system is given. The surface was calculated at the level of a full configuration expansion using a large basis set of 63 contracted Gaussian functions. This surface should be suitable for extremely accurate predictions of the vibration-rotation spectrum of H3+. © 1979 American Institute of Physics.

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页码：1 / 3

页数：3

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