THEORETICAL DETERMINATION OF THE ELECTRONIC GROUND-STATE OF THE MGC MOLECULE

被引：8

作者：

DASILVA, CO

DASILVA, EC

NASCIMENTO, MAC

机构：

[1] Instituto de Química, Depto. de Físico-Quim., Univ. Federal do Rio de Janeiro, 21949-900 Rio de Janeiro, RJ, CT-bloco A

来源：

ASTROPHYSICAL JOURNAL | 1995年 / 439卷 / 02期

关键词：

LINE; IDENTIFICATION; MOLECULAR DATA; MOLECULAR PROCESSES;

D O I：

10.1086/175241

中图分类号：

P1 [天文学];

学科分类号：

0704 ;

摘要：

Results of generalized valence bond (GVB) plus configuration interaction (CI) calculations for the potential curves and spectroscopic constants of the two lowest lying electronic states of the MgC molecule are presented. The (3) Sigma(-) state was found to be the ground state but with the (5) Sigma(-) state lying very close above. The small difference in energy and the similarity of the rotational and vibrational spectroscopic constants must be carefully taken into account in any experimental search for the MgC molecule.

引用

页码：1044 / 1045

页数：2

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