Author:
Turbiner Alexander V.,Guevara Nicolais L.
Abstract
A trial function is presented for the H2 molecule which provides the most accurate (the lowest) Bohr-Oppenheimer ground state energy among few-parametric trial functions (with ≤14 parameters). It includes the electronic correlation term in the form ~ exp (γr12) where γ is a variational parameter.
Publisher
Institute of Organic Chemistry & Biochemistry
Cited by
10 articles.
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