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- [[category:quantum system]] ...311 bytes (41 words) - 13:39, 26 September 2007
- ...tatistical mechanics simulations, and semiempirical AM1, PM3, and PDDG/PM3 quantum mechanics (QM) calculations. The MM calculations cover energy minimizations ...877 bytes (115 words) - 20:12, 11 December 2008
- fact that the [[Helmholtz energy function]] of a system can be cast as a functional of arrives at the true Helmholtz energy of the system and the equilibrium ...3 KB (433 words) - 16:57, 14 June 2010
- ...ed: the (number) density. This classical state of affairs implies that the quantum [[De Broglie thermal wavelength |thermal de Broglie wavelength]] of the par ...nt calculations. Thus, apart from being an appealing mathematical problem, quantum hard spheres can be very useful from a practical standpoint for the design ...10 KB (1,359 words) - 16:47, 9 March 2016
- ...Long-Range and Short-Range Potentials - Application to a Charged Particle System", Progress of Theoretical Physics, '''50''' pp. 409-423 (1973)] ...1143/PTP.50.1156 Junzo Chihara "Integral Equations for Neutral and Charged Quantum Fluids Including Extension of the Percus-Yevick Equation" Progress of Theor ...1 KB (181 words) - 14:15, 7 June 2007
- ...cohere and start to fill the empty side. Thus, to first order in hbar, the system appears to be ergodic. Did anyone else see this lecture? Anyone have refer ...1 KB (162 words) - 19:55, 1 February 2024
- ...inimization approach for electronic computations that scales linearly with system size", Physical Review B '''48''' pp. 14646-14649 (1993)] ...dejón, David A. Drabold, Richard M. Martin and Matthew P. Grumbach "Linear system-size scaling methods for electronic-structure calculations", Physics Review ...3 KB (334 words) - 12:40, 26 March 2014
- ...Scott Habershon, Thomas E. Markland, and David E. Manolopoulos "Competing quantum effects in the dynamics of a flexible water model", Journal of Chemical Phy ...r via [[Computation of phase equilibria#Direct simulation of the two phase system | direct coexistence]] calculations, and at 257K from calculations of the [ ...3 KB (455 words) - 16:49, 16 October 2017
- ...include [[Force fields |force-field]] based (''classical'') simulations on system ranging in complexity from simple molecular liquids (.e.g, [[water]], [[amm ...le integration techniques also developed by the principle authors. Nuclear quantum effects can be studied as well using the principle authors' [[Path integral ...2 KB (315 words) - 17:43, 23 January 2009
- ...sse. Nachrichten, pp. 1-40 (1906)]</ref>) states that the [[entropy]] of a system approaches a minimum (that of its ground state) as one approaches the [[tem [[category: quantum mechanics]] ...2 KB (291 words) - 18:28, 14 March 2017
- ====Quantum==== Silicon is a [[Polyamorphic systems | polyamorphic system]]. ...5 KB (693 words) - 13:57, 10 June 2018
- ...s that result in the observed macroscopic description of the thermodynamic system. ...so and Constantino Tsallis "Nonadditive entropy reconciles the area law in quantum systems with classical thermodynamics", Physical Review E '''78''' 021102 ( ...7 KB (973 words) - 15:26, 17 January 2018
- ...rac statistics]] and [[Bose–Einstein statistics]] for the system (i.e. the system behaves classically). ...lational [[Degree of freedom |degrees of freedom]] is negligible (i.e. the system behaves classically). ...5 KB (803 words) - 15:03, 16 February 2017
- | System || model || <math>T_{\mathrm {TMD}}</math> (K) || density at <math>T=T_{\ma ...doi.org/10.1063/1.3239471 E. G. Noya, C. Vega, L. M. Sesé, and R. Ramírez "Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 ...6 KB (929 words) - 16:01, 22 November 2012
- *[[Quantum hard spheres]] *[[Weeks-Chandler-Andersen reference system model]] ...6 KB (671 words) - 12:04, 17 September 2018
- ...sco Paesani, Soohaeng Yoo, Huib J. Bakker and Sotiris S. Xantheas "Nuclear Quantum Effects in the Reorientation of Water",Journal of Physical Chemistry Letter ...http://dx.doi.org/10.1021/jp710640e Francesco Paesani and Gregory A. Voth "Quantum Effects Strongly Influence the Surface Premelting of Ice", Journal of Physi ...12 KB (1,797 words) - 16:37, 22 November 2012
- ...al and Two-dimensional Systems Possessing a Continuous Symmetry Group. II. Quantum Systems", Journal of Experimental and Theoretical Physics '''34''' pp. 610 ...l [[XY model]]. Below the transition temperature, <math>T_{KT}</math>, the system plays host to a 'liquid' of vortex-antivortex pairs that have zero total vo ...4 KB (582 words) - 14:16, 4 October 2016
- ...694 Carl McBride, Carlos Vega, Eva G. Noya, Rafael Ramirez, Luis M. Sese "Quantum contributions in the ice phases: the path to a new empirical model for wate ...R. Ramirez, and L. M. Sesé "Heat capacity of water: A signature of nuclear quantum effects", Journal of Chemical Physics '''132''' 046101 (2010)] ...11 KB (1,637 words) - 21:15, 26 January 2022
- ...ng|thumb|right|Phase diagram (pressure vs packing fraction) of hard sphere system (Solid line - stable branch, dashed line - metastable branch)]] ...7 B. J. Alder and T. E. Wainwright "Phase Transition for a Hard Sphere System", Journal of Chemical Physics '''27''' pp. 1208-1209 (1957)]</ref>, much of ...18 KB (2,556 words) - 13:47, 23 May 2023