youngtableaux Module Reference

Functions/Subroutines
real function, dimension(size(g, 1), size(g, 2))	youngtab_get_density_matrix (G, coeffs)
type(sparse_matrix) function	dirciham (G, basis, proc1, proc2)
logical function	checkgeners (G)
	Checks the correctness of the generator matrix elements by checking the commutation relations. More...
type(sparse_matrix) function, dimension(:,:), allocatable	geners (m, n, mult)
	Returns the generators of U(n) wrt the irreps in sparse matrix form. More...
type(sparse_matrix) function, dimension(:), allocatable	diaggens (ytabs)
	Returns the matrix elements of the diagonal generators wrt the irreps. More...
type(sparse_matrix) function	diaggen (p, ytabs)
	Returns the matrix elements of the diagonal generator E_pp wrt the irreps. More...
type(sparse_matrix) function, dimension(:), allocatable	elemgens (a, ytabs)
	Returns the matrix elements of the elementary generators wrt the irreps. More...
type(sparse_matrix) function	elemgen (p, a, ytabs)
	Returns the matrix elements of an elementary generator E_p,p+1 wrt the irreps. More...
pure integer function	ciblod (l1, l2, a)
	Returns the "city block distance" for two items in a two-column Young tableau. More...
integer function, dimension(:,:), allocatable	gelf (a, b, c)
	Generates the list of possible Young tableaux from the given values of a, b, c in the Paldus Tableaux. More...
pure subroutine	getdiffs (a, b, c, diffs, k)
	For the given a, b, c, returns the list of possible changes to a & c, and the number of possibilities. More...
integer function	ndimen (a, b, c)
	Returns the number of dimensions of the irrep corresponding to the (a, b, c) Paldus Tableau. More...

Detailed Description

Author

Tchougreeff A. L.

Raenko D. D.

Function/Subroutine Documentation

checkgeners()

logical function youngtableaux::checkgeners

(

type(sparse_matrix), dimension(:,:), intent(in)

G

)

Checks the correctness of the generator matrix elements by checking the commutation relations.

Todo:

Add other checks, if necessary.

ciblod()

pure integer function youngtableaux::ciblod	(	integer, intent(in)	l1,
		integer, intent(in)	l2,
		integer, intent(in)	a
	)

Returns the "city block distance" for two items in a two-column Young tableau.

Note

This function assumes the items belong to different columns.

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diaggen()

type(sparse_matrix) function youngtableaux::diaggen	(	integer, intent(in)	p,
		integer, dimension(:, :), intent(in)	ytabs
	)

Returns the matrix elements of the diagonal generator E_pp wrt the irreps.

diaggens()

type(sparse_matrix) function, dimension(:), allocatable youngtableaux::diaggens

(

integer, dimension(:, :), intent(in)

ytabs

)

Returns the matrix elements of the diagonal generators wrt the irreps.

dirciham()

type(sparse_matrix) function youngtableaux::dirciham	(	type(sparse_matrix), dimension(:,:), intent(in)	G,
		type(orbital_ptr), dimension(:), intent(in)	basis,
		procedure(oneelectronicoperator), intent(inout), pointer	proc1,
		procedure(twoelectronicoperator), intent(inout), pointer	proc2
	)

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elemgen()

type(sparse_matrix) function youngtableaux::elemgen	(	integer, intent(in)	p,
		integer, intent(in)	a,
		integer, dimension(:, :), intent(in)	ytabs
	)

Returns the matrix elements of an elementary generator E_p,p+1 wrt the irreps.

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elemgens()

type(sparse_matrix) function, dimension(:), allocatable youngtableaux::elemgens	(	integer, intent(in)	a,
		integer, dimension(:, :), intent(in)	ytabs
	)

Returns the matrix elements of the elementary generators wrt the irreps.

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gelf()

integer function, dimension(:,:), allocatable youngtableaux::gelf	(	integer, intent(in)	a,
		integer, intent(in)	b,
		integer, intent(in)	c
	)

Generates the list of possible Young tableaux from the given values of a, b, c in the Paldus Tableaux.

Attention

DR 12.01.2022 Is there any need to sort the Young Tableaux?

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geners()

type(sparse_matrix) function, dimension(:,:), allocatable youngtableaux::geners	(	integer, intent(in)	m,
		integer, intent(in)	n,
		integer, intent(in)	mult
	)

Returns the generators of U(n) wrt the irreps in sparse matrix form.

Parameters

m	Number of basis functions.
n	Number of electrons.
mult	Spin multiplicity of the system.
G	The matrices corresponding to the E_i,j generators.

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getdiffs()

pure subroutine youngtableaux::getdiffs	(	integer, intent(in)	a,
		integer, intent(in)	b,
		integer, intent(in)	c,
		integer, dimension(4,2), intent(out)	diffs,
		integer, intent(out)	k
	)

For the given a, b, c, returns the list of possible changes to a & c, and the number of possibilities.

ndimen()

integer function youngtableaux::ndimen	(	integer, intent(in)	a,
		integer, intent(in)	b,
		integer, intent(in)	c
	)

Returns the number of dimensions of the irrep corresponding to the (a, b, c) Paldus Tableau.

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youngtab_get_density_matrix()

real function, dimension(size(g,1), size(g,2)) youngtableaux::youngtab_get_density_matrix	(	type(sparse_matrix), dimension(:,:), intent(in)	G,
		real, dimension(:), intent(in)	coeffs
	)