使用二次组态相互作用方法QCISD（T）结合6-311++g（3df，3pd）基组对SiH（SiD）自由基分子基态进行了单点能扫描计算。
The potential curves of the ground state is scanned using the Quadratic CI method including Single and Double substitutions ( QCISD ( T )) with 6-311 + + G ( 3df , 3pd ) basis set .
二次组态相互作用