vibeqc.build_transcorrelated_hamiltonian¶

vibeqc.build_transcorrelated_hamiltonian(hamiltonian, options=None)[source]¶

Apply the transcorrelated similarity transformation to a Hamiltonian.

Parameters:

hamiltonian (Hamiltonian) – The bare (untransformed) Hamiltonian in an orthonormal basis.
options (TranscorrelatedOptions, optional)

Returns:

The transcorrelated Hamiltonian H̃ = e^{−τ} H e^{τ}. The tc_diagnostics dict in the description is available for consumption by the caller.

Return type:

Hamiltonian