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An exact quantum Monte Carlo calculation of the helium–helium intermolecular potential. II

2001; American Institute of Physics; Volume: 115; Issue: 10 Linguagem: Inglês

10.1063/1.1390512

1520-9032

James B. Anderson,

Molecular Spectroscopy and Structure

We report “exact” ab initio calculations with reduced statistical error for the potential energy of interaction of two helium atoms. For the equilibrium internuclear distance of 5.6 bohr, the calculated electronic energy is −5.807 483 53±0.000 000 06 hartrees and the corresponding well depth is (ε/k) 10.98±0.02 K.