dyson.util.energy

dyson.util.energy#

Energy functionals.

Functions

gf_moments_galitskii_migdal(gf_moments_hole, ...)

Compute the Galitskii--Migdal energy in terms of the moments of the hole Green's function.
dyson.util.energy.gf_moments_galitskii_migdal(gf_moments_hole: Array, hcore: Array, factor: float = 1.0) → float[source]#

Compute the Galitskii–Migdal energy in terms of the moments of the hole Green’s function.

Parameters:

  • gf_moments_hole – Moments of the hole Green’s function. Only the first two (zeroth and first moments) are required.

  • hcore – Core Hamiltonian.

  • factor – Factor to scale energy. For UHF and GHF calculations, this should likely be 0.5, for RHF it is 1.0.

Returns:

Galitskii–Migdal energy.

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