Search Results - "Sesé, Luis M"
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A Glimpse into Quantum Triplet Structures in Supercritical 3He
Published in Entropy (Basel, Switzerland) (02-02-2023)“…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 <…”
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2
Real Space Triplets in Quantum Condensed Matter: Numerical Experiments Using Path Integrals, Closures, and Hard Spheres
Published in Entropy (Basel, Switzerland) (25-11-2020)“…Path integral Monte Carlo and closure computations are utilized to study real space triplet correlations in the quantum hard-sphere system. The conditions…”
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3
Path-integral and Ornstein-Zernike computations of quantum fluid structures under strong fluctuations
Published in AIP advances (01-02-2017)“…This work deals with the computation of the structure factors of quantum fluids under complex conditions involving substantial density fluctuations and/or…”
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4
Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility
Published in The journal of physical chemistry. B (25-02-2010)“…With the objective of establishing the importance of water flexibility in empirical models which explicitly include nuclear quantum effects, we have carried…”
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5
Computational Study of the Structures of Gaseous Helium-3 at Low Temperature
Published in The journal of physical chemistry. B (21-08-2008)“…A computational study of gaseous helium-3 at T = 5.23 K, for number densities ρ N < 0.0021 Å−3, analyzing the different pair and triplet structures in both the…”
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6
Path integral Monte Carlo simulations for rigid rotors and their application to water
Published in Molecular physics (10-01-2011)“…In this work the path integral formulation for rigid rotors, proposed by Müser and Berne [Phys. Rev. Lett. 77, 2638 (1996)], is described in detail. It is…”
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7
A Glimpse into Quantum Triplet Structures in Supercritical [sup.3]He
Published in Entropy (Basel, Switzerland) (01-02-2023)“…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 <…”
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8
Contribution to the Statistical Mechanics of Static Triplet Correlations and Structures in Fluids with Quantum Spinless Behavior
Published in Quantum reports (03-11-2024)“…The current developments in the theory of quantum static triplet correlations and their associated structures (real r-space and Fourier k-space) in monatomic…”
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9
A Glimpse into Quantum Triplet Structures in Supercritical 3 He
Published in Entropy (Basel, Switzerland) (02-02-2023)“…A methodological study of triplet structures in quantum matter is presented. The focus is on helium-3 under supercritical conditions (4 < /K < 9; 0.022 <…”
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Journal Article -
10
Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture
Published in Molecular physics (20-12-1996)“…The quantum static structure factor of liquid neon at several state points is determined. The methodology involves the combined use of Baxter's equations…”
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11
Structural and response functions at equilibrium in path-integral quantum simple fluids
Published in Molecular physics (10-04-2002)“…A discussion on the physical meaning of the r-space structures that can be defined in path-integral quantum simple fluids far from exchange is presented by…”
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12
The compressibility theorem for quantum simple fluids at equilibrium
Published in Molecular physics (20-05-2003)“…An extension of the compressibility theorem for quantum simple fluids within the pathintegral approach is presented. First, it is demonstrated that in the…”
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13
On the calculation of the static structure factor of path-integral quantum simple fluids far from exchange
Published in Molecular physics (10-04-2001)“…This paper addresses several points of interest concerning the computation of the static structure factor of path-integral monatomic quantum fluids. First of…”
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14
Quantum computation of the static structure factor of deuterium gas
Published in Chemical physics letters (21-02-1997)“…The static structure factor of deuterium gas in the critical region is computed within the Feynman-Hibbs quantum approximation for structureless particles…”
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15
Quantum effects on the static structure factor of Lennard-Jones fluids
Published in Molecular physics (01-11-1997)“…The classical and quantum static structure factors of Lennard-Jones fluids (liquid neon, deuterium gas and helium-4 gas) far from exchange are computed. The…”
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16
Path integral Monte Carlo simulations for rigid rotors and their application to water
Published 10-12-2010“…Molecular Physics volume 109, pp. 149-168 (2011) In this work the path integral formulation for rigid rotors, proposed by M\"user and Berne [Phys. Rev. Lett…”
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17
An application of the self-consistent variational effective potential against the path-integral to compute equilibrium properties of quantum simple fluids
Published in Molecular physics (01-10-1999)“…The thermodynamic and structural features obtained from the self-consistent variational effective potential SCP (developed by Feynman and Kleinert and by…”
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18
Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture
Published in Molecular physics (20-12-1996)Get full text
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19
Quantum contributions in the ice phases: the path to a new empirical model for water -- TIP4PQ/2005
Published 22-06-2009“…Journal of Chemical Physics, volume 131, 024506 (2009) With a view to a better understanding of the influence of atomic quantum delocalisation effects on the…”
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