mp2_scs Function

private pure function mp2_scs(this) result(scs_energy)

Compute SCS-MP2 (Spin-Component Scaled MP2) correlation energy SCS-MP2 uses: E_SCS = (1/3)E_SS + 1.2E_OS

Type Bound

Arguments

Type	Intent	Optional	Attributes		Name
class(mp2_energy_t),	intent(in)			::	this

Return Value real(kind=dp)

Source Code

   pure function mp2_scs(this) result(scs_energy)
      !! Compute SCS-MP2 (Spin-Component Scaled MP2) correlation energy
      !! SCS-MP2 uses: E_SCS = (1/3)*E_SS + 1.2*E_OS
      class(mp2_energy_t), intent(in) :: this
      real(dp) :: scs_energy

      scs_energy = SCS_SS_SCALE*this%ss + SCS_OS_SCALE*this%os
   end function mp2_scs