mxll_elec_coupling_oct_m Module Reference

Data Types
type	mxll_coupling_t

Functions/Subroutines
subroutine, public	mxll_coupling_init (this, d, gr, namespace, mass)
	Parse variables and initialize Maxwell coupling. More...
subroutine	mxll_quadrupole_test_init (this, gr, namespace)
	Initializes quadrupole test when requested. The test applies an electric field defined as E=(0.2 x, 0, 0) which produces a quadrupole potential that is harmonic: V=0.1 x^2. More...
subroutine, public	mxll_coupling_calc (this, hm_base, mesh, d, space)
	Add the Maxwell coupling to the electronic Hamiltonian. More...
subroutine, public	mxll_coupling_end (this)
	Finalize and deallocate Maxwell coupling arrays. More...
subroutine, public	set_electric_quadrupole_pot (this, mesh)
	Computes the electric quadrupole potential \(H^{EQ} = \frac{1}{2} e [ (\vec{r} \cdot \mathbb{Q} \cdot \vec{r} )\phi \) where \( \mathbb{Q} _{i j}=\left.\partial_i E_j^{\perp}\right|_{\vec{r}=\vec{r}_0} \). More...
subroutine, public	magnetic_dipole_coupling (this, psib, hpsib)
	Computes the magnetic dipole term of the Hamiltonian. \(H^{MD} = (-i e \hbar /2m) \sum_i (\vec{B}(r_0).(\vec{r} x \nabla)) \psi_i \) This routine acually implements the equivalent expression (\vec{B}(r_0) \times \vec{r}) . (\nabla \psi) More...

Variables
integer, parameter, public	no_maxwell_coupling = 0
integer, parameter, public	length_gauge_dipole = 1
integer, parameter, public	multipolar_expansion = 2
integer, parameter, public	velocity_gauge_dipole = 3
integer, parameter, public	full_minimal_coupling = 4
integer, parameter, public	dipole_average = 0
integer, parameter, public	dipole_at_com = 1

Function/Subroutine Documentation

mxll_coupling_init()

subroutine, public mxll_elec_coupling_oct_m::mxll_coupling_init	(	type(mxll_coupling_t), intent(inout)	this,
		type(states_elec_dim_t), intent(in)	d,
		type(grid_t), intent(in), target	gr,
		type(namespace_t), intent(in)	namespace,
		real(real64), intent(in)	mass
	)

Parse variables and initialize Maxwell coupling.

Definition at line 184 of file mxll_elec_coupling.F90.

mxll_quadrupole_test_init()

subroutine mxll_elec_coupling_oct_m::mxll_quadrupole_test_init ( type(mxll_coupling_t), intent(inout)  this, type(grid_t), intent(in)  gr, type(namespace_t), intent(in)  namespace  )

private

Initializes quadrupole test when requested. The test applies an electric field defined as E=(0.2 x, 0, 0) which produces a quadrupole potential that is harmonic: V=0.1 x^2.

Definition at line 341 of file mxll_elec_coupling.F90.

mxll_coupling_calc()

subroutine, public mxll_elec_coupling_oct_m::mxll_coupling_calc	(	type(mxll_coupling_t), intent(inout)	this,
		type(hamiltonian_elec_base_t), intent(inout)	hm_base,
		type(mesh_t), intent(in)	mesh,
		type(states_elec_dim_t), intent(in)	d,
		class(space_t), intent(in)	space
	)

Add the Maxwell coupling to the electronic Hamiltonian.

Definition at line 379 of file mxll_elec_coupling.F90.

mxll_coupling_end()

subroutine, public mxll_elec_coupling_oct_m::mxll_coupling_end

(

type(mxll_coupling_t), intent(inout)

this

)

Finalize and deallocate Maxwell coupling arrays.

Definition at line 443 of file mxll_elec_coupling.F90.

set_electric_quadrupole_pot()

subroutine, public mxll_elec_coupling_oct_m::set_electric_quadrupole_pot	(	type(mxll_coupling_t), intent(inout)	this,
		type(mesh_t), intent(in)	mesh
	)

Computes the electric quadrupole potential \(H^{EQ} = \frac{1}{2} e [ (\vec{r} \cdot \mathbb{Q} \cdot \vec{r} )\phi \) where \( \mathbb{Q} _{i j}=\left.\partial_i E_j^{\perp}\right|_{\vec{r}=\vec{r}_0} \).

Definition at line 464 of file mxll_elec_coupling.F90.

magnetic_dipole_coupling()

subroutine, public mxll_elec_coupling_oct_m::magnetic_dipole_coupling	(	type(mxll_coupling_t), intent(in)	this,
		type(wfs_elec_t), intent(inout)	psib,
		type(wfs_elec_t), intent(inout)	hpsib
	)

Computes the magnetic dipole term of the Hamiltonian. \(H^{MD} = (-i e \hbar /2m) \sum_i (\vec{B}(r_0).(\vec{r} x \nabla)) \psi_i \) This routine acually implements the equivalent expression (\vec{B}(r_0) \times \vec{r}) . (\nabla \psi)

Definition at line 514 of file mxll_elec_coupling.F90.

Variable Documentation

no_maxwell_coupling

integer, parameter, public mxll_elec_coupling_oct_m::no_maxwell_coupling = 0

Definition at line 168 of file mxll_elec_coupling.F90.

length_gauge_dipole

integer, parameter, public mxll_elec_coupling_oct_m::length_gauge_dipole = 1

Definition at line 168 of file mxll_elec_coupling.F90.

multipolar_expansion

integer, parameter, public mxll_elec_coupling_oct_m::multipolar_expansion = 2

Definition at line 168 of file mxll_elec_coupling.F90.

velocity_gauge_dipole

integer, parameter, public mxll_elec_coupling_oct_m::velocity_gauge_dipole = 3

Definition at line 168 of file mxll_elec_coupling.F90.

full_minimal_coupling

integer, parameter, public mxll_elec_coupling_oct_m::full_minimal_coupling = 4

Definition at line 168 of file mxll_elec_coupling.F90.

dipole_average

integer, parameter, public mxll_elec_coupling_oct_m::dipole_average = 0

Definition at line 175 of file mxll_elec_coupling.F90.

dipole_at_com

integer, parameter, public mxll_elec_coupling_oct_m::dipole_at_com = 1

Definition at line 175 of file mxll_elec_coupling.F90.