Related papers: The Five Problems of Irreversibility
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems.…
Over the last few decades, classical density-functional theory (DFT) and its dynamic extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently, previous DDFTs for spherically-symmetric particles have been…
Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…
The inverse problem of Kohn-Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the…
Recently a number of approaches has been developed to connect the microscopic dynamics of particle systems to the macroscopic properties of systems in nonequilibrium stationary states, via the theory of dynamical systems. This way a direct…
Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the…
Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches of chemistry and materials science.…
Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research and though the modern form of DFT has been studied for almost 60 years, some…
We demonstrate that irreversibility arises from the principle of microscopic reversibility and the presence of memory in the time evolution of a single copy of a system driven by a protocol. We introduce microscopic reversibility by using…
In the paper, "Time & clocks: A thermodynamic approach" Lucia and Grisolia describe the connections between the physical nature of time and macroscopic irreversibility in thermodynamics. They also discuss the possibility of constructing a…
Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…
Time-reversal had always been assumed to be a symmetry of physics at the fundamental level. In this paper we will explore the violations of time-reversal symmetry at the fundamental level and the consequences on thermodynamic systems.…
The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…
This paper presents a unified formulation of the origin of the arrow of time in classical and quantum mechanics. We begin with a mechanical analysis of a one-dimensional three-particle system, which provides a concrete example in which…
The combined law of thermodynamics derived by Gibbs laid the foundation of thermodynamics though only applicable to systems without internal processes. Gibbs further derived the classical statistical thermodynamics in terms of the…
The relation between time series irreversibility and entropy production has been recently investigated in thermodynamic systems operating away from equilibrium. In this work we explore this concept in the context of financial time series.…
A historical perspective is presented on thermodynamics from the pioneering contributions by Carnot and Clausius to recent advances on active matter. Non-equilibrium thermodynamics develops from the identification of the irreversible…
Developing a thermodynamic theory of computation is a challenging task at the interface of non-equilibrium thermodynamics and computer science. In particular, this task requires dealing with difficulties such as stochastic halting times,…
Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…
The literature on dynamical systems has, for the most part, considered self-oscillators (i.e., systems capable of generating and maintaining a periodic motion at the expense of an external energy source with no corresponding periodicity)…