Enrico Clementi, Riccardo Barsotti, et al.
Theoretica Chimica Acta
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, Riccardo Barsotti, et al.
Theoretica Chimica Acta
Jacob Fromm, Enrico Clementi, et al.
The Journal of Chemical Physics
Enrico Clementi
The Journal of Chemical Physics
Caria Roetti, Enrico Clementi
The Journal of Chemical Physics