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Springer eBooks

Lennard-Jones Boson Matter in the Thermodynamic Perturbation Scheme

Valdir C. Aguilera-Navarro, Christina Keller, MANUEL DE LLANO, R. Guardiola, M. A. Solís

Published Jan 1, 1988• 0 citations
Publisher
DOI
10.1007/978-1-4613-0971-0_14

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The thermodynamic perturbation scheme for the very successful construction of classical liquid equations of state is applied in the quantum regime to the ground-state energy of a many-boson system interacting pairwise via a Lennard-Jones inter­ molecular potential. The ensuing density and attractive-coupling double expansion for the energy is series-analyzed with Pade techniques, as well as generalizations thereof. Results through sixth order compare with the Green Function Monte Carlo simula­ tions for the same system at the one-percent level of accuracy.

•Jan 1, 1988•0 citations
The exact, low-density many-boson expansion for the ground-state energy is rearranged in a quantum-thermodynamic perturbation series. Extrapolation to physical densities is implemented order by order via Pad\'e-type approximants. Several ways of splitting the pair Lennard-Jones (LJ) or Aziz potentials are considered, including the Barker-Henderson (BH) and Weeks-Chandler-Andersen (WCA) schemes familiar from classical fluid studies. Results obtained using the LJ interaction with WCA splitting, when compared with benchmark simulation data, agree excellently in energy and density, but only moderately so in sound velocity. For the Aziz potential, however---perhaps because of a softer core and/or its ability to support a two-particle bound state---, neither potential splitting (BH or WCA) gave results of the LJ quality, but a method intermediate between BH and WCA proves to be superior. Our results are also compared with other recent alternative calculations, both variational and perturbative.
The thermodynamic perturbation scheme for the very successful construction of classical liquid equations of state is applied in the quantum regime to the ground-state energy of a many-boson system interacting pairwise via a Lennard-Jones inter­ molecular potential. The ensuing density and attractive-coupling double expansion for the energy is series-analyzed with Pade techniques, as well as generalizations thereof. Results through sixth order compare with the Green Function Monte Carlo simula­ tions for the same system at the one-percent level of accuracy.