semi_empirical_par_utils::amn_l Interface Reference

Public Member Functions
subroutine	amn_l1 (sep, amn)
	Computes the A^{\mu \nu}_l values for the evaluation of the two-center two-electron integrals. The term is the one reported in Eq.(7) of TCA.
subroutine	amn_l2 (sep, amn)
	Computes the A^{\mu \nu}_l values for the evaluation of the two-center two-electron integrals. The term is the one reported in Eq.(7) of TCA.

Detailed Description

Definition at line 197 of file semi_empirical_par_utils.F.

Member Function/Subroutine Documentation

amn_l1()

subroutine semi_empirical_par_utils::amn_l::amn_l1	(	type(semi_empirical_type), pointer	sep,
		real(kind=dp), dimension(6), intent(out)	amn
	)

Computes the A^{\mu \nu}_l values for the evaluation of the two-center two-electron integrals. The term is the one reported in Eq.(7) of TCA.

Parameters

sep	...
amn	...

Date

03.2008 [tlaino]

Notation Index: 1 (SS), 2 (SP), 3 (SD), 4 (PP), 5 (PD), 6 (DD)

Author

Teodoro Laino [tlaino] - University of Zurich

Definition at line 528 of file semi_empirical_par_utils.F.

amn_l2()

subroutine semi_empirical_par_utils::amn_l::amn_l2	(	type(semi_empirical_type), pointer	sep,
		real(kind=dp), dimension(6, 0:2), intent(out)	amn
	)

Computes the A^{\mu \nu}_l values for the evaluation of the two-center two-electron integrals. The term is the one reported in Eq.(7) of TCA.

Parameters

sep	...
amn	...

Date

09.2008 [tlaino]

Author

Teodoro Laino [tlaino] - University of Zurich

Definition at line 575 of file semi_empirical_par_utils.F.

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

• semi_empirical_par_utils.F