HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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Implement test for the CC phase with zero field #95

Open haakoek opened 2 years ago

haakoek commented 2 years ago

For any given CC method the time-evolution of the phase tau0 with a time-independent Hamiltonian is given by

i(d/dt)tau0(t) = <Phi0|e^{-T(t)}He^{T(t)}|Phi0> -> tau0(t) = exp(-iEcct), Ecc = <Phi0|e^{-T(0)}He^{T(0)}|Phi0>,

which provides an "exact" test case.