Enrico Clementi
JACS
The ground-state Hartree-Fock wavefunctions are reported for the K, Ca, Se, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn atoms. The basis sets have fully optimized orbital exponents, and each function satisfies accurately the virial theorem. The basis set consists of 11 exponential functions of s symmetry, 6 exponential functions of d symmetry. With basis sets of the same size, the positive ions isoelectronic series have been computed up to Z=30. For the positive ions only the essential features of the computation are reported.
Enrico Clementi
JACS
George C. Lie, Enrico Clementi
The Journal of Chemical Physics
R.G. Body, Donald S. McClurre, et al.
The Journal of Chemical Physics
Enrico Clementi
The Journal of Chemical Physics