Zobrazeno 1 - 10
of 66
pro vyhledávání: '"Luis M. Sesé"'
Autor:
Luis M. Sesé
Publikováno v:
Entropy, Vol 25, Iss 2, p 283 (2023)
A methodological study of triplet structures in quantum matter is presented. The focus is on helium-3 under supercritical conditions (4 < T/K < 9; 0.022 < ρN/Å−3 < 0.028), for which strong quantum diffraction effects dominate the behavior. Compu
Externí odkaz:
https://doaj.org/article/bf851e20d1db4d5d8993d3e0bd491879
Autor:
Luis M. Sesé
Publikováno v:
Entropy, Vol 22, Iss 12, p 1338 (2020)
Path integral Monte Carlo and closure computations are utilized to study real space triplet correlations in the quantum hard-sphere system. The conditions cover from the normal fluid phase to the solid phases face-centered cubic (FCC) and cI16 (de Br
Externí odkaz:
https://doaj.org/article/b2f779d1dae94ad69b5baaab31d3f1bf
Autor:
Luis M. Sesé
Publikováno v:
AIP Advances, Vol 7, Iss 2, Pp 025204-025204-19 (2017)
This work deals with the computation of the structure factors of quantum fluids under complex conditions involving substantial density fluctuations and/or large particle delocalization effects. The method is based on the combination of path-integral
Externí odkaz:
https://doaj.org/article/6eef0e1049b2412f9dc4e1453118febb
Autor:
Luis M, Sesé
Publikováno v:
The Journal of chemical physics. 149(12)
The instantaneous and centroid triplet structure factors
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ad3f3ecf70dca0d2a95fe2d45f5dcf4b
https://pubmed.ncbi.nlm.nih.gov/30278655
https://pubmed.ncbi.nlm.nih.gov/30278655
Autor:
Luis M. Sesé
Publikováno v:
Advances in Chemical Physics, Volume 160
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40aef812c749e4ec7cceb98ef46e7c72
https://doi.org/10.1002/9781119165156.ch2
https://doi.org/10.1002/9781119165156.ch2
Autor:
Luis M. Sesé
Publikováno v:
The Journal of chemical physics. 144(9)
Liquid neon, liquid para-hydrogen, and the quantum hard-sphere fluid are studied with path integral Monte Carlo simulations and the Ornstein-Zernike pair equation on their respective crystallization lines. The results cover the whole sets of structur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a57921feb7c88403999a0bb3c5c697e
https://pubmed.ncbi.nlm.nih.gov/26957169
https://pubmed.ncbi.nlm.nih.gov/26957169
Autor:
Luis M. Sesé
Publikováno v:
The Journal of Chemical Physics. 148:102312
The problem of the equilibrium triplet structures in fluids with quantum behavior is discussed. Theoretical questions of interest to the real space structures are addressed by studying the three types of structures that can be determined via path int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4035d3632b876c62ec1a6eaf1ae6e045
https://doi.org/10.1063/1.5000007
https://doi.org/10.1063/1.5000007
Publikováno v:
The Journal of Physical Chemistry B. 114:2484-2492
With the objective of establishing the importance of water flexibility in empirical models which explicitly include nuclear quantum effects, we have carried out path integral Monte Carlo simulations in water clusters with up to seven molecules. Two r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::265ce16ab8e9e7b5e34969fad8c6f453
https://doi.org/10.1021/jp910770y
https://doi.org/10.1021/jp910770y
Autor:
Luis M. Sesé
Publikováno v:
The Journal of Physical Chemistry B. 112:10241-10254
A computational study of gaseous helium-3 at T = 5.23 K, for number densities ρN < 0.0021 A- 3 , analyzing the different pair and triplet structures in both the r and the k spaces, is presented. Structures in r space (i.e., instantaneous, total cont
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::660edd8ed982e94ab8f37ba6d7e3f3e3
https://doi.org/10.1021/jp802542u
https://doi.org/10.1021/jp802542u
Autor:
Luis M. Sesé, Lorna E. Bailey
Publikováno v:
The Journal of Chemical Physics. 121:10076-10087
A study of the asymptotic decay of the pair radial correlations in the bare quantum hard-sphere (QHS) fluid and in the quantum hard-sphere Yukawa (QHSY) fluid is presented. The conditions explored are far from quantum exchange and are contained withi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c5341b4ed2d9271e659cdbc7e28846e
https://doi.org/10.1063/1.1808115
https://doi.org/10.1063/1.1808115