dipelm_types::channels Interface Reference

Holds set of partial wave channels. More...

Collaboration diagram for dipelm_types::channels:

Public Member Functions
procedure, pass	print (this, iwrite)
procedure, pass	occupancy (this, occ, lmax)
	Maps each ichl(i), lchl(i), mchl(i) to a single canonical channel index and returns an array that indicates which canonical channels are occupied.
type(channels) function	new_channels (ni, nc)

Public Attributes
type(bound)	ion_states
	The ionic state quantum numbers and energies.
integer, dimension(:), allocatable	ichl
	The ionic state index.
integer, dimension(:), allocatable	lchl
	l character of partial waves
integer, dimension(:), allocatable	mchl
	m character of partial waves
real(idp), dimension(:), allocatable	threshold_energies
	The channel threshold energies relative to the ionic ground state (Hartree).

Detailed Description

Holds set of partial wave channels.

Holds arrays describing partial wave scattering/photoionization channels. A channel is specified by final ionic state and l and m quantum number of the partial wave (expansion of the continuum electron in an angular momentum basis).

Note: Only symmetry allowed channels are stored occupancy.

Member Function/Subroutine Documentation

new_channels()

type(channels) function dipelm_types::channels::new_channels	(	integer	ni,
		integer	nc )

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occupancy()

procedure, pass dipelm_types::channels::occupancy	(	class(channels)	this,
		integer, dimension(:), allocatable	occ,
		integer, optional	lmax )

Maps each ichl(i), lchl(i), mchl(i) to a single canonical channel index and returns an array that indicates which canonical channels are occupied.

\( j = (i-1)N_\mathrm{p} + l(l+1)+(m+1) \)

where \( N_\mathrm{p} = (l_{\mathrm{max}} + 1)^2 \) and \( i \) is the ionic state index.

Parameters

occ	= returned array where entries are 1 if the canonical channel is occupied and 0 if not. Size = \( N_\mathrm{i} \times N_\mathrm{p} \), where \( N_\mathrm{i} \) is the number of ionic states.
lmax	= the maximum l value for partial wave expansion of the continuum (optional)

See also

dipelm_special_functions::lm2i and dipelm_special_functions::i2lm

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print()

procedure, pass dipelm_types::channels::print	(	class(channels)	this,
		integer	iwrite )

Member Data Documentation

ichl

integer, dimension(:), allocatable dipelm_types::channels::ichl

The ionic state index.

ion_states

type(bound) dipelm_types::channels::ion_states

The ionic state quantum numbers and energies.

lchl

integer, dimension(:), allocatable dipelm_types::channels::lchl

l character of partial waves

mchl

integer, dimension(:), allocatable dipelm_types::channels::mchl

m character of partial waves

threshold_energies

real(idp), dimension(:), allocatable dipelm_types::channels::threshold_energies

The channel threshold energies relative to the ionic ground state (Hartree).

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

• /scratch.ssd/codes/ukrmol-out-git/source/dipelm/dipelm_types.f90