g Function

public elemental function g(i, j, k, l) result(res)

The two-electron integral in chemist’s notation

Convention in the purple book[@purple_book] or the Shavitt paper[@Hinze1981] and many more.

The function exists to have a direct translation of the pen and paper equations into code.

Arguments

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

Spatial orbital indices

integer, intent(in) :: j

Spatial orbital indices

integer, intent(in) :: k

Spatial orbital indices

integer, intent(in) :: l

Spatial orbital indices

Return Value real(kind=dp)