An extended geminal calculation of the three-body potential for the ground state of the helium trimer
作者： I. Røeggen , J. Almlöf
DOI: 10.1016/S0166-1280(96)80047-9
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摘要: Abstract The three-body potential for the ground state of helium trimer is determined by an extended geminal model. model includes triple pair correlation terms calculated coupled-cluster CCSD(TQ). basis set calculation uncontracted (17s, 6p, 4d, 3f) Gaussian type functions contracted to [8s, 3f]. Three different types configurations were considered: (i) equilateral triangles side R, R ∈ {3, 5, 4.0,…, 8.5, 9.0} u.a., (ii) linear with R12 = R23, {3.5, 4.0, …, a.u., and a pseudo-random configurations. value triangular configuration equal distance 5.669289 a.u. 3.0 A , respectively −0.072 μHartree −0.053 μHartree. In long range region very close Axilrod-Teller triple-dipole energy.
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