Potential energy surfaces of excited states of H-2 (vol 285, pg 114, 1998)

被引：21

作者：

Stibbe, DT

Tennyson, J

机构：

[1] UCL, Dept Phys & Astron, London WC1E 6BT, England

[2] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 308卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(99)00628-4

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 H(2)(-) excited state potential curves of Mebel et al. (Chem. Phys. Lett. 285 (1998) 114-120) are re-analysed. They are shown to be artefacts of the method of computation, with little or no relation to real states. The need for caution in the use of bound state electronic structure methods to study resonance parameters is re-emphasized. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：532 / 536

页数：5

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