mirror of https://github.com/pfloos/quack
30 lines
865 B
Fortran
30 lines
865 B
Fortran
function RRKin(AngMomA,AngMomB,ExpA,ExpB,ExpPi,CenterAB,CenterPA) &
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result(Gab)
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! Recurrence relation for one-electron kinetic integrals
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implicit none
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! Input variables
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integer,intent(in) :: AngMomA,AngMomB
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double precision,intent(in) :: ExpA,ExpB,ExpPi
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double precision,intent(in) :: CenterAB,CenterPA
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! Local variables
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double precision :: HRROv
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double precision :: a,b,s1,s2,s3,s4
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double precision :: Gab
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a = dble(AngMomA)
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b = dble(AngMomB)
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s1 = HRROv(AngMomA-1,AngMomB-1,ExpPi,CenterAB,CenterPA)
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s2 = HRROv(AngMomA+1,AngMomB-1,ExpPi,CenterAB,CenterPA)
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s3 = HRROv(AngMomA-1,AngMomB+1,ExpPi,CenterAB,CenterPA)
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s4 = HRROv(AngMomA+1,AngMomB+1,ExpPi,CenterAB,CenterPA)
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Gab = 0.5d0*a*b*s1 - ExpA*b*s2 - a*ExpB*s3 + 2d0*ExpA*ExpB*s4
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end function RRKin
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