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Journal of Low Temperature Physics

Diffusion Monte Carlo Study of the Small Mixed 3He-4He Clusters

I. Bešlić, Leandra Vranješ Markić, Srećko Kilić

Published Aug 11, 2006• 3 citations
Publisher
DOI
10.1007/s10909-006-9220-x

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A stability chart of mixed 4He{}^{4}\mathrm{He}4He and 3He{}^{3}\mathrm{He}3He clusters has been obtained by means of the diffusion Monte Carlo method, using both the Aziz HFD-B and the Tang-Toennies-Yiu atom-atom interaction. The investigated clusters contain up to eight 4He{}^{4}\mathrm{He}4He atoms and up to 20 3He{}^{3}\mathrm{He}3He atoms. One single 4He{}^{4}\mathrm{He}4He binds 20 3He{}^{3}\mathrm{He}3He atoms, and two 4He{}^{4}\mathrm{He}4He bind 1, 2, 8, and more than 14 3He{}^{3}\mathrm{He}3He atoms. All clusters with three or more 4He{}^{4}\mathrm{He}4He atoms are bound, although the combinations 4He33He9,10,11{}^{4}{\mathrm{He}}_{3}^{3}{\mathrm{He}}_{9,10,11}4He33​He9,10,11​ and 4He43He9{}^{4}{\mathrm{He}}_{4}^{3}{\mathrm{He}}_{9}4He43​He9​ are metastable. Clusters with 2, 8, and 20 3He{}^{3}\mathrm{He}3He atoms are particularly stable and define magic 3He{}^{3}\mathrm{He}3He numbers.
We have studied the stability of mixed 3He/4He clusters in L 1⁄4 0 \nand L 1⁄4 1 states by the diffusion Monte Carlo method, employing the Tang-Toennies-Yiu (TTY) He-He potential. The clusters 3He4HeM (L 1⁄4 0, S 1⁄4 12) and 3He2 4HeM (L 1⁄4 0, S 1⁄4 0) are stable for M >1, while to bind two 3He in a triplet state the minimum number of 4He is four. Considering clusters with three 3He, 3He3 4He4 is the smallest stable system in the L 1⁄4 1 state, while 3He3 4He8 is the smallest stable system in the L 1⁄4 0 state.
The diffusion Monte Carlo technique is used to calculate and analyze the excitation spectrum of 3He atoms bound to a cluster of 4He atoms by using a previously determined optimum filling of single-fermion orbits with well-defined orbital angular momentum L, spin S, and parity quantum numbers. The study concentrates on the energies and shapes of the three kinds of states for which the fermionic part of the wave function is a single Slater determinant: maximum L or maximum S states within a given orbit, and fully polarized clusters. The picture that emerges is that of systems with strong shell effects, whose binding and excitation energies are essentially determined by averages over configuration at fixed number of particles and spin, i.e., by the monopole properties of an effective Hamiltonian.