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bsonghao / hot-molecule

TFCC approach for thermal vibronic problem
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Test on thermal properties #20

Open bsonghao opened 1 year ago

bsonghao commented 1 year ago

Implement cumulant express of the physical density matrix and compare with the sum over states results

bsonghao commented 1 year ago

c589ecd7a1f81e688c0fd025c3539843fdd0c20e implement it

bsonghao commented 1 year ago

The FCI density matrix matrix the TFCC result image