Exponentially Correlated Gaussian wave functions are applied to variational calculations of thetotal electronic energy of several a few-electron atomic and molecular systems. It is shown thatthis powerful approach enables to obtain extremely accurate results not only for two-electronsystems but also for three- and four-electron atoms and molecules.
Jul 29, 2014
May 21, 2014
|10.12921_cmst.1996.02.01.87-100_Komasa||Jul 29, 2014|