About the ground state of the H-3(+) hydrogen molecular ion

作者：Lopez Vieyra J C; Turbiner A V; Medel Cobaxin H

来源：Journal of Physics B: Atomic, Molecular and Optical Physics , 2011, 44(19): 195101.

DOI：10.1088/0953-4075/44/19/195101

Three simple 7-, (7 + 3)-, 10-parametric trial functions for the H-3(+) molecular ion are presented. Each of them subsequently provides the most accurate approximation for the Born-Oppenheimer ground state energy among several-parametric trial functions. These trial functions are chosen following a criterion of physical adequacy; they include the electronic correlation in the exponential form similar to exp (gamma r(12)), where gamma is a variational parameter. The Born-Oppenheimer energy is found to be E = -1.340 34,-1.340 73,-1.341 59 au, respectively, for the optimal equilateral triangular configuration of protons with the equilibrium interproton distance R = 1.65 au. The variational energy agrees to three significant digits with the most accurate results available at present as well as for major expectation values.

• 出版日期2011-10-14