A new basis set of functions of the form Hn1[(a)1/2x]Hn2[(a)1/2y]Hn3[(a)1/2z] exp(− ar2) is proposed for molecular calculations. Explicit formulas for overlap, dipole moment, and kinetic-energy integrals as well as nuclear-attraction and electron-repulsion energy integrals are given. Numerical integration is completely avoided. All integrals are analytical functions of parameters, and only two auxiliary functions are required.
No takes yet. Share an insight, caveat, or question.
Živković et al. (1968) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: