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3pd

3pd3pd
  1. 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 .

    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。