Related papers: Current issues in finite-$T$ density-functional th…
A quantitative and predictive theory of quantum light-matter interactions in ultra thin materials involves several fundamental challenges. Any realistic model must simultaneously account for the ultra-confined plasmonic modes and their…
Warm dense matter (WDM)---an extreme state with high temperatures and densities that occurs e.g. in astrophysical objects---constitutes one of the most active fields in plasma physics and materials science. These conditions can be realized…
This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…
Finite-temperature infinite matter is analyzed with the recently introduced effective-fieldtheory(EFT)-inspired YGLO (Yang-Grasso-Lacroix-Orsay) and ELYO (extended Lee-Yang, Orsay) functionals, which are designed to describe very…
Over the last decade, warm dark matter (WDM) has been repeatedly proposed as an alternative scenario to the standard cold dark matter (CDM) one, potentially resolving several disagreements between the CDM model and observations on small…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
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 Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudo-atom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested…
We consider low-temperature behavior of weakly interacting electrons in disordered conductors in the regime when all single-particle eigenstates are localized by the quenched disorder. We prove that in the absence of coupling of the…
In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic…
Chern-Simons topological field theories TFTs are the only TFTs that have already found application in the description of some exotic strongly-correlated electron systems and the corresponding concept of topological quantum computing. Here,…
Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of 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…
Determinant Quantum Monte Carlo (DQMC) is used to study the effect of non-zero hopping t_f in the localized f-band of the periodic Anderson model (PAM) in two dimensions. The low temperature properties are determined in the plane of…
Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principles molecular dynamics (FPMD), require a huge amount of…
The Uhlmann process is built on the density matrix of a mixed quantum state and offers a way to characterize topological properties at finite temperatures. We analyze an ideal spin-j quantum paramagnet in a magnetic field undergoing an…
We develop a procedure to determine the portion of exact Hartree-Fock exchange interaction contained in a hybrid density functional to treat the range of electronic correlation governing the physics of a system as a function of a…
The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of…