Bradley P. Feuston, Wanda Andreoni, et al.
Physical Review B
The double-zeta orbital exponents for Slater-type functions have been reoptimized for the ground state functions of the atoms with Z =2 to the atoms with Z =36, and accurately computed for the ground state wavefunctions of the atoms with Z = 37 to the atoms with Z = 54. Thus the entire series of basis sets for accurate double-zeta functions for the atoms from He(1S) to Xe(1S) are now available for molecular computations.
Bradley P. Feuston, Wanda Andreoni, et al.
Physical Review B
R.G. Body, Donald S. McClurre, et al.
The Journal of Chemical Physics
Enrico Clementi, Riccardo Barsotti, et al.
Theoretica Chimica Acta
Enrico Clementi, Anne Routh
International Journal of Quantum Chemistry