Processing math: 100%

g Function

private elemental function g(I, A, J, B)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: I

Return the 2el integral gI,A,J,B

I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB>

integer, intent(in) :: A

Return the 2el integral gI,A,J,B

I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB>

integer, intent(in) :: J

Return the 2el integral gI,A,J,B

I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB>

integer, intent(in) :: B

Return the 2el integral gI,A,J,B

I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB>

Return Value real(kind=dp)


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