A THEORETICAL-STUDY OF THE TRANSITION-PROBABILITIES, RADIATIVE LIFETIMES AND INFRARED-SPECTRUM OF THE MOLECULE BEC IN ITS GROUND-STATE, X(3)SIGMA(-)

被引:7
作者
BORIN, AC
ORNELLAS, FR
机构
[1] Institute de Química, Universidade de São Paulo, São Paulo, SP 01498-970
来源
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 335卷
关键词
D O I
10.1016/0166-1280(94)03989-X
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
Theoretical results at the multireference single and double excitations configuration interaction level for vibrationally averaged dipole moments, absorption matrix elements, Einstein A spontaneous emission coefficients, and radiative lifetimes are reported for the recently predicted BeC molecule in the X(3) Sigma(-) state.
引用
收藏
页码:107 / 112
页数:6
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