Related papers: Range separation: The divide between local structu…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…
The combination of density-functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution (range separation) is a successful…
The connection is established between two theories that have developed independently with the aim to describe quantum mechanics as a stochastic process, namely stochastic quantum mechanics (sqm) and stochastic electrodynamics (sed).…
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…
Liquids generally become more ordered upon cooling. However, it has been a long-standing debate on whether such structural ordering in liquid water takes place continuously or discontinuosly: continuum vs. mixture models. Here, by computer…
This study applies response theory to investigate electron charge dynamics, with a particular focus on charge separation. We analytically assess the strengths and limitations of linear and quadratic response theories in describing charge…
We review some modern theories about the structure of space and time, in particular those related to discrete space and time. Following an epistemological method we start from theories which discuss discrete space and time as a mathematical…
We review understanding of kinetics of fluid phase separation in various space dimensions. Morphological differences, percolating or disconnected, based on overall composition in a binary liquid or density in a vapor-liquid system, have…
The distribution of the deformations of elementary cells is studied in an abstract lattice constructed from the existence of the empty set. One combination rule determining oriented sequences with continuity of set-distance function in such…
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.…
The combination of quantum theory and special relativity leads to structures that differ in several respects from non-relativistic quantum mechanics of particles. These differences are quite familiar to practitioners of Algebraic Quantum…
This dissertation is founded on the central notion that structural correlations in dense fluids, such as dense gases, liquids, and glasses, are directly related to fundamental interatomic forces. This relationship was identified early in…
We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study…
The evolution of local defects such as dislocations and cracks often determines the performance of engineering materials. For a proper description and understanding of these phenomena, one needs to descend to a very small scale, at which…
We construct the model of a long lived plasma structure based on spherically symmetric oscillations of electrons in plasma. Oscillations of electrons are studied in frames of both classical and quantum approaches. We obtain the density…
Time-varying materials bring an extra degree of design freedom compared to their conventional time-invariant counterparts. However, few discussions have focused on the underlying physical difference between spatial and temporal boundaries.…
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…
Density matrix embedding theory (DMET) describes finite fragments in the presence of a surrounding environment. In contrast to most embedding methods, DMET explicitly allows for quantum entanglement between both. In this chapter, we discuss…
In this paper, I give an overview of some selected results in quantum many body theory, lying at the interface between mathematical quantum statistical mechanics and condensed matter theory. In particular, I discuss some recent results on…
The understanding of the large-scale structure formation requires the resolution of coupled nonlinear equations describing the cosmic density and velocity fields. This is a complicated problem that, for the last decade, has been essentially…