dk_scalar_mod Module

the non-relativistic H_core = T + V with the scalar relativistic H^DK. The DK transformation is carried out in the momentum (p) representation obtained by diagonalising the kinetic energy matrix T.

Pipeline (called once per SCF): 1. Compute pVp integrals 2. Build p-space basis: S^{-1/2} -> XU, SXU, p^2 eigenvalues 3. Compute kinematic factors: E_p, A, R 4. Transform V and pVp to p-space 5. Build H^DK1 in p-space (DK1 correction) 6. Add H^DK2 correction in p-space (DK2 correction) 7. Back-transform to AO basis -> overwrite OQP::Hcore