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Public Attributes | Private Member Functions | Private Attributes | List of all members
xc_photons_oct_m::xc_photons_t Type Reference

This class described the 'photon-exchange' electron-photon xc functionals, based on QEDFT. More...

Detailed Description

This class described the 'photon-exchange' electron-photon xc functionals, based on QEDFT.

Currently, two functionals are available:

  • LDA
  • wave function based functional

The choice of the functional is controlled by the input variable XCPhotonFunctional

Definition at line 156 of file xc_photons.F90.

Public Attributes

real(real64), dimension(:), allocatable, public vpx
 photon-free px potential More...
 
real(real64), public ex
 photon-free px energy More...
 
logical, public lpfmf = .false.
 if .true. include the photon-free mean field in vector potential More...
 
real(real64), dimension(:), allocatable, public mf_vector_potential
 

Private Member Functions

procedure init => xc_photons_init
 
procedure end => xc_photons_end
 
procedure wants_to_renormalize_mass => xc_photons_wants_to_renormalize_mass
 
procedure get_renormalized_mass => xc_photons_get_renormalized_emass
 
procedure mf_dump => xc_photons_mf_dump
 
procedure mf_load => xc_photons_mf_load
 
procedure v_ks => xc_photons_v_ks
 
procedure add_mean_field => xc_photons_add_mean_field
 

Private Attributes

integer method = 0
 0 = no px, 1 = LDA, 2 = wave function More...
 
type(photon_mode_t) pt
 
real(real64) pxlda_kappa
 the scaling factor for the px LDA More...
 
real(real64) eta_c
 the scaling factor for the px potential to reproduce the perturbation results More...
 
integer energy_method = 0
 1 = virial, 2 = expectation (only for 1 electron) More...
 
logical lcorrelations = .false.
 use the factor to approximate correlations More...
 
logical llamb_re_mass = .false.
 .true. to renormalize the electron mass More...
 
logical llamb_freespace =.false.
 .true. to run the lamb shift in free space More...
 
real(real64) lamb_omega
 the frequency cutoff for lamb shift More...
 
real(real64), dimension(:,:), allocatable jp_proj_eo
 paramagnetic current projected to the polarization direction and decomposed into cosine (e:even) and sine (o: odd) More...
 

Member Function/Subroutine Documentation

◆ init()

procedure xc_photons_oct_m::xc_photons_t::init
private

Definition at line 178 of file xc_photons.F90.

◆ end()

procedure xc_photons_oct_m::xc_photons_t::end
private

Definition at line 179 of file xc_photons.F90.

◆ wants_to_renormalize_mass()

procedure xc_photons_oct_m::xc_photons_t::wants_to_renormalize_mass
private

Definition at line 180 of file xc_photons.F90.

◆ get_renormalized_mass()

procedure xc_photons_oct_m::xc_photons_t::get_renormalized_mass
private

Definition at line 181 of file xc_photons.F90.

◆ mf_dump()

procedure xc_photons_oct_m::xc_photons_t::mf_dump
private

Definition at line 182 of file xc_photons.F90.

◆ mf_load()

procedure xc_photons_oct_m::xc_photons_t::mf_load
private

Definition at line 183 of file xc_photons.F90.

◆ v_ks()

procedure xc_photons_oct_m::xc_photons_t::v_ks
private

Definition at line 184 of file xc_photons.F90.

◆ add_mean_field()

procedure xc_photons_oct_m::xc_photons_t::add_mean_field
private

Definition at line 185 of file xc_photons.F90.

Member Data Documentation

◆ method

integer xc_photons_oct_m::xc_photons_t::method = 0
private

0 = no px, 1 = LDA, 2 = wave function

Definition at line 158 of file xc_photons.F90.

◆ vpx

real(real64), dimension(:), allocatable, public xc_photons_oct_m::xc_photons_t::vpx

photon-free px potential

Definition at line 159 of file xc_photons.F90.

◆ ex

real(real64), public xc_photons_oct_m::xc_photons_t::ex

photon-free px energy

Definition at line 160 of file xc_photons.F90.

◆ pt

type(photon_mode_t) xc_photons_oct_m::xc_photons_t::pt
private

Definition at line 161 of file xc_photons.F90.

◆ pxlda_kappa

real(real64) xc_photons_oct_m::xc_photons_t::pxlda_kappa
private

the scaling factor for the px LDA

Definition at line 162 of file xc_photons.F90.

◆ eta_c

real(real64) xc_photons_oct_m::xc_photons_t::eta_c
private

the scaling factor for the px potential to reproduce the perturbation results

Definition at line 163 of file xc_photons.F90.

◆ energy_method

integer xc_photons_oct_m::xc_photons_t::energy_method = 0
private

1 = virial, 2 = expectation (only for 1 electron)

Definition at line 165 of file xc_photons.F90.

◆ lcorrelations

logical xc_photons_oct_m::xc_photons_t::lcorrelations = .false.
private

use the factor to approximate correlations

Definition at line 166 of file xc_photons.F90.

◆ llamb_re_mass

logical xc_photons_oct_m::xc_photons_t::llamb_re_mass = .false.
private

.true. to renormalize the electron mass

Definition at line 167 of file xc_photons.F90.

◆ llamb_freespace

logical xc_photons_oct_m::xc_photons_t::llamb_freespace =.false.
private

.true. to run the lamb shift in free space

Definition at line 168 of file xc_photons.F90.

◆ lamb_omega

real(real64) xc_photons_oct_m::xc_photons_t::lamb_omega
private

the frequency cutoff for lamb shift

Definition at line 169 of file xc_photons.F90.

◆ lpfmf

logical, public xc_photons_oct_m::xc_photons_t::lpfmf = .false.

if .true. include the photon-free mean field in vector potential

Definition at line 171 of file xc_photons.F90.

◆ mf_vector_potential

real(real64), dimension(:), allocatable, public xc_photons_oct_m::xc_photons_t::mf_vector_potential

Definition at line 172 of file xc_photons.F90.

◆ jp_proj_eo

real(real64), dimension(:,:), allocatable xc_photons_oct_m::xc_photons_t::jp_proj_eo
private

paramagnetic current projected to the polarization direction and decomposed into cosine (e:even) and sine (o: odd)

Definition at line 173 of file xc_photons.F90.

The documentation for this type was generated from the following file: