source.qed_mp module

class source.qed_mp.qed_mp(hf, omega, qed_hf=True, **kwargs)

Bases: LazyMp

Lazily evaluated (non-)polaritonic MP object

__init__(hf, omega, qed_hf=True, **kwargs)

Lazily evaluated (non-)polaritonic MP object

qed_energy(level=2)

Obtain the total energy (SCF energy plus all corrections) at a particular level of perturbation theory for QED MP.

qed_energy_correction(level=2)

Determines the polaritonic correction to the MP energy.

qed_t0(space)

Return second new electronic singly excited amplitude in the first order correction to the wavefunction for qed from the standard HF reference

qed_t0_df(space)

qed_t0 amplitude times df

qed_t1(space)

Return new electronic singly excited amplitude in the first order correction to the wavefunction for qed

qed_t1_df(space)

qed_t1 amplitude times (df+omega)