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pro vyhledávání: '"Dufty, James W."'
Autor:
Dufty, James W.
Density Functional Theory relies on universal functionals characteristic of a given system. Those functionals in general are different for the electron gas and for jellium (electron gas with uniform background). However, jellium is frequently used to
Externí odkaz:
http://arxiv.org/abs/1705.07495
Publikováno v:
Phys. Rev. Lett. 120, 076401 (2018)
Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (XC) free energy functional accurate over a wide range of state conditions. Unlike the gro
Externí odkaz:
http://arxiv.org/abs/1612.06266
Autor:
Dufty, James W., Trickey, S. B.
Publikováno v:
Mol. Phys. 114, 988 (2016)
A previous analysis of scaling, bounds, and inequalities for the non-interacting functionals of thermal density functional theory is extended to the full interacting functionals. The results are obtained from analysis of the related functionals from
Externí odkaz:
http://arxiv.org/abs/1612.02869
Autor:
Dufty, James W., Trickey, S. B.
Approximations to the many-fermion free energy density functional that include the Thomas-Fermi (TF) form for the non-interacting part lead to singular densities for singular external potentials (e.g. attractive Coulomb). This limitation of the TF ap
Externí odkaz:
http://arxiv.org/abs/1606.09151
Publikováno v:
Phys. Rev. E 85, 021307 (2012)
A low density binary mixture of granular gases is considered within the Boltzmann kinetic theory. One component, the intruders, is taken to be dilute with respect to the other, and thermal segregation of the two species is described for a special exa
Externí odkaz:
http://arxiv.org/abs/1112.3495
Autor:
Dufty, James W., Dutta, Sandipan
A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce the thermodynamic and structural properties. The objective is to develop a means for exploiting strong coupling classical methods (e.g., MD, integ
Externí odkaz:
http://arxiv.org/abs/1110.2747
Autor:
Dufty, James W., Trickey, S. B.
Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is construction of the c
Externí odkaz:
http://arxiv.org/abs/1105.2276
Autor:
Dufty, James W., Brey, J. Javier
Continuum mechanics (e.g., hydrodynamics, elasticity theory) is based on the assumption that a small set of fields provides a closed description on large space and time scales. Conditions governing the choice for these fields are discussed in the con
Externí odkaz:
http://arxiv.org/abs/1103.3953
Publikováno v:
2011 New J. Phys. 13 055019
A dilute suspension of impurities in a low density gas is described by the Boltzmann and Boltzman-Lorentz kinetic theory. Scaling forms for the species distribution functions allow an exact determination of the hydrodynamic fields, without restrictio
Externí odkaz:
http://arxiv.org/abs/1102.1374
Autor:
Dufty, James W.
The response of an isolated granular fluid to small perturbations of the hydrodynamic fields is considered. The corresponding linear response functions are identified in terms of a formal solution to the Liouville equation including the effects of th
Externí odkaz:
http://arxiv.org/abs/0912.1737