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使用pyAutoMR做对称破缺计算
MR Practice
Multireference Tutorial
Multireference Scan of Diatomic Molecules
CASSCF计算
NEVPT2/MRCI计算
MR Theory
MCSCF 01: SOSCF
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MCSCF 01: SOSCF
MCSCF 01: SOSCF
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Start with 2nd-order SCF. We will reach MCSCF later.