gem.gdmft.Gdmft

class gem.gdmft.Gdmft(ntot, nimp, nbath, eks, eloc, Utensor, wks=None, spin_sym=True, orb_sym=False, soc=False, R=None, Lambda=None, D=None, Lambda_c=None, edsolver=None, suff='', verbose=0, spin_pen=0)[source]

This is a class representation of a ghost-RISB object (with DMFT-like algorithm).

Parameters:

  • ntot (int) – Total number of orbital.

  • nimp – Total number of imp orbital.

  • nbath – Total number of bath orbital.

  • eks (np.ndarray) – Momentum distribution.

  • eloc (np.ndarray) – Local one-body Hamtilonian.

  • Utensor (np.ndarray) – Local two-obdy interaction.

  • R (np.ndarray) – R matrix.

  • Lambda (np.ndarray) – Lambda matrix.

  • ed_params (dic) – Exact diagonalization solver parameters.

  • Hspin_list (list) – Hermitian matrix basis in each spin block with spin symmetry.

  • Hfull_list (list) – Full Hermitian matrix basis.

Methods

compute_energy([beta, mu])

Compute total energy, kinetic energy, and potential energy

get_functional()

Compute the value of the finite temperature functional

run

Methods

__init__(ntot, nimp, nbath, eks, eloc, Utensor)

compute_energy([beta, mu])

Compute total energy, kinetic energy, and potential energy

get_functional()

Compute the value of the finite temperature functional

run([mu, itmax, mix, tol, T, n_target, ...])