Search Results - "Sese, Luis M."

Path integral Monte Carlo simulations for rigid rotors and their application to water by Noya, Eva G., Sesé, Luis M., Ramírez, Rafael, McBride, Carl, Conde, Maria M., Vega, Carlos

“…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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A Glimpse into Quantum Triplet Structures in Supercritical 3He by Sesé, Luis M.

“…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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Real Space Triplets in Quantum Condensed Matter: Numerical Experiments Using Path Integrals, Closures, and Hard Spheres by Sesé, Luis M

“…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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Path-integral and Ornstein-Zernike computations of quantum fluid structures under strong fluctuations by Sesé, Luis M.

“…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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Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility by González, Briesta S, Noya, Eva G, Vega, Carlos, Sesé, Luis M

“…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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Computational Study of the Structures of Gaseous Helium-3 at Low Temperature by Sesé, Luis M

“…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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Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture by SESE, LUIS M.

“…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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Quantum effects on the static structure factor of Lennard-Jones fluids by SESE, By LUIS M.

“…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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A Glimpse into Quantum Triplet Structures in Supercritical [sup.3]He by Sesé, Luis M

“…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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Contribution to the Statistical Mechanics of Static Triplet Correlations and Structures in Fluids with Quantum Spinless Behavior by Sesé, Luis M.

“…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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A Glimpse into Quantum Triplet Structures in Supercritical 3 He by Sesé, Luis M

“…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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An application of the self-consistent variational effective potential against the path-integral to compute equilibrium properties of quantum simple fluids by Sese, Luis M.

“…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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Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture by SESE, LUIS

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Structural and response functions at equilibrium in path-integral quantum simple fluids by SESÉ, LUIS M.

“…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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The compressibility theorem for quantum simple fluids at equilibrium by SESÉ, LUIS M.

“…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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On the calculation of the static structure factor of path-integral quantum simple fluids far from exchange by SESÉ, LUIS M.

“…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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Quantum contributions in the ice phases: the path to a new empirical model for water -- TIP4PQ/2005 by McBride, Carl, Vega, Carlos, Noya, Eva G, Ramirez, Rafael, Sese, Luis M

“…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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Quantum computation of the static structure factor of deuterium gas by Sesé, Luis M.

“…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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Path integral Monte Carlo simulations for rigid rotors and their application to water by Noya, Eva G, Sesé, Luis M, Ramírez, Rafael, McBride, Carl, Conde, Maria M, Vega, Carlos

“…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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