Monte-Carlo optimization of correlated helium wave function

 SABYASACHI KAR and PUSPAJIT MANDAL

 

 Abstract.

 A new type of correlated wave function for the normal helium is proposed in the form: ff2(rl, r2) = ~ Cm~m with ~m = exp[-a(rl + r2)]/(brl2 + a) m where a, b, a are non-linear varia- tional parameters. Optimizing these parameters by the Monte-Carlo technique, an energy eigen- value of -2.903645(a.u.) is obtained with only three terms in the basis expansion alongwith satisfactory cusp condition, compared to the essentially exact non-relativistic value of -2.903724 as given by Freund et al (Phys. Rev. A29, 980 (1984)).

 

https://www.ias.ac.in/article/fulltext/pram/050/01/0035-0043