Quantum Monte Carlo study of small pure and mixed spin-polarized tritium clusters (CROSBI ID 136388)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Bešlić, Ivana ; Vranješ Markić, Leandra ; Boronat, Jordi
engleski
Quantum Monte Carlo study of small pure and mixed spin-polarized tritium clusters
We have investigated the stability limits of small spin-polarized clusters consisting of up to ten spin-polarized tritium T atoms and the mixtures of T with spin-polarized deuterium D and hydrogen H atoms. All of our calculations have been performed using the variational and diffusion Monte Carlo methods. For clusters with D atoms, the released node procedure is used in cases where the wave function has nodes. In addition to the energy, we have also calculated the structure of small clusters using unbiased estimators. Results obtained for pure T clusters are in good accordance with previous calculations, confirming that the trimer is the smallest spin-polarized tritium cluster. Our results show that mixed T– H clusters having up to ten atoms are unstable and that it takes at least three tritium atoms to bind one, two, or three D atoms. Among all the considered clusters, we have found no other Borromean states except the ground state of the T trimer.
atomic clusters ; deuterium ; ground states ; hydrogen ; Monte Carlo methods ; spin polarised atomic hydrogen ; tritium ; variational techniques
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Podaci o izdanju
128 (6)
2008.
064302
6
objavljeno
0021-9606
1089-7690
10.1063/1.2827119