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pro vyhledávání: '"Tschopp, S. M."'
Classical density functional theory (DFT) is a powerful framework to study inhomogeneous fluids. Its standard form is based on the knowledge of a generating free energy functional. If this is known exactly, then the results obtained by using standard
Externí odkaz:
http://arxiv.org/abs/2410.18680
Autor:
Tschopp, S. M., Brader, J. M.
Publikováno v:
J. Chem. Phys. 160, 214124 (2024)
The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach the viscous forces arising from interparticle interactions are accounte
Externí odkaz:
http://arxiv.org/abs/2403.16599
Publikováno v:
J. Chem. Phys. 158, 234904 (2023)
Superadiabatic dynamical density functional theory (superadiabatic-DDFT), a first-principles approach based on the inhomogeneous two-body correlation functions, is employed to investigate the response of interacting Brownian particles to time-depende
Externí odkaz:
http://arxiv.org/abs/2304.05248
Autor:
Tschopp, S. M., Brader, J. M.
Publikováno v:
J. Chem. Phys. 157, 234108 (2022)
For classical many-body systems subject to Brownian dynamics we develop a superadiabatic dynamical density functional theory (DDFT) for the description of inhomogeneous fluids out-of-equilibrium. By explicitly incorporating the dynamics of the inhomo
Externí odkaz:
http://arxiv.org/abs/2209.11586
Publikováno v:
Phys. Rev. E 106, 014115 (2022)
When a fluid is subject to an external field, as is the case near an interface or under spatial confinement, then the density becomes spatially inhomogeneous. Although the one-body density provides much useful information, a higher level of resolutio
Externí odkaz:
http://arxiv.org/abs/2203.01795
Autor:
Tschopp, S. M., Brader, J. M.
Publikováno v:
Phys. Rev. E 103, 042103 (2021)
For the three-dimensional hard-sphere model we investigate the inhomogeneous two-body correlations predicted by Rosenfeld's fundamental measure theory. For the special cases in which the density has either planar or spherical symmetry we provide anal
Externí odkaz:
http://arxiv.org/abs/2101.08112
Publikováno v:
Phys. Rev. E 102, 042140 (2020)
The Barker-Henderson perturbation theory is a bedrock of liquid-state physics, providing quantitative predictions for the bulk thermodynamic properties of realistic model systems. However, this successful method has not been exploited for the study o
Externí odkaz:
http://arxiv.org/abs/2008.04739