M.H. Whangbo, V.H. Smith Jr, et al.
Journal of Physics B: Atomic and Molecular Physics
The correlation energy for systems containing 3d and 4s electrons has been examined making use of recently obtained Hartree-Fock energies for the elements from K to Zn. In addition to the expected pair correlation between 3d electrons, a large extrashell correlation has been found. These results make it desirable to re-examine the simple correlation model previously put forward. The relativistic correction for the elements in consideration has been discussed.
M.H. Whangbo, V.H. Smith Jr, et al.
Journal of Physics B: Atomic and Molecular Physics
G.C. Lie, E. Clementi
The Journal of Chemical Physics
M. Berry, D. Chen, et al.
International Journal of High Performance Computing Applications
George C. Lie, E. Clementi, et al.
The Journal of Chemical Physics