APPLICATION OF THE GCA TO A SERIES OF CURVE CROSSING TOPOLOGIES

被引：0

作者：

BROECKHOVE, J ^{[1
]}

KEUTGENS, W ^{[1
]}

LATHOUWERS, L ^{[1
]}

VANLEUVEN, P ^{[1
]}

机构：

[1] UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1994年 / 52卷 / 01期

关键词：

D O I：

10.1002/qua.560520106

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 generator coordinate approximation (GCA) for the calculation of spectra of diatomics is briefly reviewed. Results of this method applied to a series of curve crossings are presented. In all cases, the generator coordinate method performs significantly better than does the adiabatic approximation. When the energy gap becomes smaller, the GCA results improve. In the crossing limit, the GCA becomes exact. (C) 1994 John Wiley & Sons, Inc.

引用

页码：49 / 57

页数：9

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