finite temperature¶

Zero temperature — TD-DMRG¶

class renormalizer.spectra.zerot.SpectraOneWayPropZeroT(model, spectratype, optimize_config=None, evolve_config=None, compress_config=None, offset=Quantity(0.0, 'a.u.'))[source]¶

evolve_single_step(evolve_dt)[source]¶

Evolve the mps for a single step with step size evolve_dt.

Returns:: new mps after the evolution

class renormalizer.spectra.zerot.SpectraTwoWayPropZeroT(model, spectratype, optimize_config=None, evolve_config=None, compress_config=None, offset=Quantity(0.0, 'a.u.'))[source]¶

evolve_single_step(evolve_dt)[source]¶

Evolve the mps for a single step with step size evolve_dt.

Returns:: new mps after the evolution

class renormalizer.spectra.zerot.SpectraZeroT(model, spectratype, optimize_config=None, evolve_config=None, compress_config=None, offset=Quantity(0.0, 'a.u.'))[source]¶

Calculate the zero temprature absorption & emission spectrum using TD-DMRG

Parameters:

model – MolList the molecular information
spectratype – string “abs” or “emi”
optimize_config – parameter for ground state sweep
evolve_config – time evolution

get_imps()[source]¶

init_mps()[source]¶

Returns:: initial mps of the system