Monte-Carlo optimization of correlated helium wave function |
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Authors: | Sabyasachi Kar Puspajit Mandal |
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Institution: | (1) Department of Mathematics, Visva-Bharati University, 731 235 Santiniketan, India |
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Abstract: | A new type of correlated wave function for the normal helium is proposed in the form:ψ(r1, r2)=Σc
mφm withφ
m=exp]−α(r
1+r
2)]/(br
12+a)
m
wherea, b, α are non-linear variational parameters. Optimizing these parameters by the Monte-Carlo technique, an energy eigen-value of
−2.903645(a.u.) is obtained withonly three terms in the basis expansion alongwith satisfactory cusp condition, compared to the essentially exact non-relativistic value
of −2.903724 as given by Freundet al (Phys. Rev.
A29, 980 (1984)). |
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Keywords: | Eigenenergy normal state Virial theorem Monte-Carlo optimization |
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