7. spectra: absorption/emission spectrum at zero/finite temperature#

7.1. Zero temperature — TD-DMRG#

class renormalizer.spectra.zerot.SpectraOneWayPropZeroT(model, spectratype, optimize_config=None, evolve_config=None, compress_config=None, offset=<renormalizer.utils.quantity.Quantity object>)[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=<renormalizer.utils.quantity.Quantity object>)[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=<renormalizer.utils.quantity.Quantity object>)[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