中文摘要：

采用含Davidson修正的多参考组态相互作用方法（MRCI＋Q），对CdH分子最低的5个解离限对应的10个-X态进行能量计算．计算结果表明，X2∑＋，B2∑＋，C2∑＋，4^2∑＋，A2Л，2^2Л为束缚态，1^4Л，1^4∑＋，2^4∑＋，5^2∑＋为排斥态．计算了6个束缚态和7个二重态（2∑E＋，2Л）的振动能级、转动常数和偶极矩．理论计算结果与现有的实验值结果吻合较好．

英文摘要：

The multi-reference configuration interaction including Davidson correction （ MRCI＋Q ） calculations wereperformed for the ten A-S states correlating with the first five dissociation asymptotes of CdH molecule. The computed results show that X2∑＋, B2∑＋, C2∑＋, 42∑＋, A21-I, 22YI are the bound states, while the 1^4Л, 1^4∑＋, 2^4∑＋, 5^2∑＋ are the repulsive states. The vibrational levels and rotational constants of the six bound states and the dipole moments of these seven doublet states （ 2∑＋, 2Л ） were determined, which are in good accordance with the previous experimental values.