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Author  |
Ancilotto, F.; Barranco, M.; Navarro, J.; Pi, M. |
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Title |
A Density Functional Approach to Para-hydrogen at Zero Temperature |
Type |
Journal Article |
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Year |
2016 |
Publication |
Journal of Low Temperature Physics |
Abbreviated Journal |
J. Low Temp. Phys. |
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Volume |
185 |
Issue |
1-2 |
Pages |
26-38 |
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Keywords |
Solid and liquid bulk para-hydrogen; Small para-hydrogen clusters; Density functional theory |
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Abstract |
We have developed a density functional (DF) built so as to reproduce either the metastable liquid or the solid equation of state of bulk para-hydrogen, as derived from quantum Monte Carlo zero temperature calculations. As an application, we have used it to study the structure and energetics of small para-hydrogen clusters made of up to molecules. We compare our results for liquid clusters with diffusion Monte Carlo (DMC) calculations and find a fair agreement between them. In particular, the transition found within DMC between hollow-core structures for small N values and center-filled structures at higher N values is reproduced. The present DF approach yields results for (pH) clusters indicating that for small N values a liquid-like character of the clusters prevails, while solid-like clusters are instead energetically favored for . |
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Address |
[Ancilotto, Francesco] Dipartimento Fis & Astron Galileo Galilei, Padua, Italy, Email: manuel@ecm.ub.edu |
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Publisher |
Springer/Plenum Publishers |
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English |
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ISSN |
0022-2291 |
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Notes |
WOS:000382142000003 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
2814 |
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Author |
Ancilotto, F.; Barranco, M.; Navarro, J.; Pi, M. |
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Title |
Cavitation of electron bubbles in liquid parahydrogen |
Type |
Journal Article |
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Year |
2011 |
Publication |
Molecular Physics |
Abbreviated Journal |
Mol. Phys. |
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Volume |
109 |
Issue |
23-24 |
Pages |
2757-2762 |
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Keywords |
liquid parahydrogen; electron bubbles; density functional theory; capillary approximation |
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Abstract |
Within a finite-temperature density functional approach, we have investigated the structure of electron bubbles in liquid parahydrogen below the saturated vapour pressure, determining the critical pressure at which electron bubbles explode as a function of temperature. The electron-parahydrogen interaction has been modelled by a Hartree-type local potential fitted to the experimental value of the conduction band-edge for a delocalized electron in pH(2). We have found that the pressure for bubble explosion is, in absolute value, about a factor of two smaller than that of the homogeneous cavitation pressure in the liquid. Comparison with the results obtained within the capillary model shows the limitations of this approximation, especially as temperature increases. |
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Address |
[Barranco, Manuel; Pi, Marti] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain, Email: manuel@ecm.ub.es |
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Publisher |
Taylor & Francis Ltd |
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English |
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ISSN |
0026-8976 |
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Notes |
WOS:000299109300007 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
930 |
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Author |
Davesne, D.; Pastore, A.; Navarro, J. |
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Title |
Hartree-Fock Calculations in Semi-Infinite Matter with Gogny Interactions |
Type |
Journal Article |
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Year |
2023 |
Publication |
Universe |
Abbreviated Journal |
Universe |
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Volume |
9 |
Issue |
9 |
Pages |
398 - 11pp |
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Keywords |
Nuclear Density Functional Theory; semi-infinite nuclear matter; Hartree-Fock equations; 21.60.Jz; 21.65.-f; 21.65.Mn |
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Abstract |
Hartree-Fock equations in semi-infinite nuclear matter for finite range Gogny interactions are presented together with a detailed numerical scheme to solve them. The value of the surface energy is then extracted and given for standard Gogny interactions. |
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Address |
[Davesne, Dany] Univ Lyon 1, Inst Phys Infinis Lyon 2, CNRS, IN2P3, 43 Bd 11 Novembre 1918, F-69622 Villeurbanne, France, Email: davesne@ipnl.in2p3.fr; |
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Mdpi |
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English |
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Notes |
WOS:001074530100001 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
5693 |
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