Related papers: Finite-Temperature Density-Functional Theory of Bo…

Using the finite-temperature path integral Monte Carlo method, we investigate dilute, trapped Bose gases in a quasi-two dimensional geometry. The quantum particles have short-range, s-wave interactions described by a hard-sphere potential…

We introduce 'single-particle-exact density functional theory' (1pEx-DFT), a novel density functional approach that represents all single-particle contributions to the energy with exact functionals. Here, we parameterize interaction energy…

We study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accurate ab initio molecular dynamics simulations with…

Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…

We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…

A unified formulation of the density functional theory is constructed on the foundations of entropic inference in both the classical and the quantum regimes. The theory is introduced as an application of entropic inference for inhomogeneous…

The second order response functions and susceptibilities of finite temperature Bose-Einstein Condensates (BEC) in a one dimensional harmonic trap driven by an external field that couples to the particle density are calculated by solving the…

Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…

Through exact numerical solutions we show Bose-Einstein condensation (BEC) for the one-dimensional (1D) bosons with repulsive short-range interactions at zero temperature by taking a particular large size limit. Following the…

Despite its widespread use, density functional theory (DFT) has several notable areas of failure; perhaps the most well-studied of these failures is self-interaction error (SIE). Density corrected DFT (DC-DFT) was proposed as a potential…

Conformal field theory (CFT) has been extremely successful in describing large-scale universal effects in one-dimensional (1D) systems at quantum critical points. Unfortunately, its applicability in condensed matter physics has been limited…

Bose-Einstein condensation of a relativistic ideal Bose gas in a rectangular cavity is studied. Finite size corrections to the critical temperature are obtained by the heat kernel method. Using zeta-function regularization of one-loop…

While in principle, finite temperature density functional theory (ftDFT) should be a powerful tool for the study of crystallization, in practice this has not so far been the case. Progress has been hampered by technical problems which have…

Density Functional Theory (DFT) has become the quasi-standard for ab-initio simulations for a wide range of applications. While the intrinsic cubic scaling of DFT was for a long time limiting the accessible system size to some hundred…

Partition Density Functional Theory (P-DFT) is a density embedding method that partitions a molecule into fragments by minimizing the sum of fragment energies subject to a local density constraint and a global electron-number constraint. To…

We develop a bosonization approach to study the low temperature properties of one-dimensional gas of particles obeying fractional exclusion statistics (FES). It is shown that such ideal gas reproduces the low-energy excitations and…

We formulate a conserving gapless mean-field theory for Bose-Einstein condensates on the basis of a Luttinger-Ward thermodynamic functional. It is applied to a weakly interacting uniform gas with density $n$ and s-wave scattering length $a$…

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…

Dicke model predicts a quantum phase transition from normal to superradiant phases for a two-level atomic ensemble coupled with an optical cavity at zero temperature. In a recent pioneer experiment [Nature 464, 1301 (2010)], such a phase…

We investigate neutron stars admixed with dark matter (DM) in the form of a finite-temperature Bos-Einstein condensate (BEC) within a general relativistic two-fluid framework in which the nuclear and dark components interact only…