bsonghao / hot-molecule

TFCC approach for thermal vibronic problem
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Implement TFCC approach for full vibronic problem #8

Open bsonghao opened 1 year ago

bsonghao commented 1 year ago

d853e4eb54eb0f675845cb19a8d23916a36589f7 manage to implement the approach

bsonghao commented 1 year ago

Here are some preliminary result for one of Neil's two by two models image image

bsonghao commented 1 year ago

Tasks

bsonghao commented 1 year ago

ad5600553253c892faf880a209eb5da848c1a296 implement intial T amplitude for quadratic. Now numerical exact for general single surface quadratic model

bsonghao commented 1 year ago

Benchmark between FCI, TFCC, TFCC with modified projection manifold with the same two by two vibronic model

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