A new double minimum problem: The B-1 Sigma(+) state of BH

被引:19
作者
Browne, J. C. [1 ]
Greenawalt, E. M. [2 ]
机构
[1] Univ Texas Austin, Dept Comp Sci & Phys, Austin, TX 78712 USA
[2] Univ Texas Austin, Dept Comp Sci, Austin, TX 78712 USA
关键词
D O I
10.1016/0009-2614(70)80184-1
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 extended configuration interaction calculation of the wavefunction and potential curve for the B-1 Sigma(+) state of BH reveals that this state has a double minimum in its potential curve somewhat analogous to the E, F-1 Sigma(+)(g) state of H-2. Only the transitions to levels in the inner minimum have yet been observed spectroscopically. K Predictions are made of the position and spacings of vibrational levels in the outer minimum and above the maximum in the B-1 Sigma(+) potential curve.
引用
收藏
页码:363 / 367
页数:5
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