On the stability of some analytically solvable maximum probability domains

摘要: The stability of some maximum probability domains (MPDs) determined for a set analytically solvable models is examined. MPDs are regions the physical space that maximize finding an exact, integer number electrons and have been shown to provide vivid images cores, lone bonding pairs, etc. They obtained by numerical maximization techniques based on use shape derivative, which has vanish at any stationary point. Here, we give first steps Hessian gain information about true nature solutions. As general conclusion, electron correlation seems decrease multiplicity solutions found Hartree–Fock level, remaining closer what it expected from chemical insight.