Related papers: Gradient corrections to the local density approxim…
Computationally-efficient semilocal approximations of density functional theory at the level of the local spin density approximation (LSDA) or generalized gradient approximation (GGA) poorly describe weak interactions. We show improved…
Consider $N$ bosons in a finite box $\Lambda= [0,L]^3\subset \bR^3$ interacting via a two-body nonnegative soft potential $V= \lambda \tilde V$ with $\tilde V$ fixed and $\lambda>0$ small. We will take the limit $L, N \to \infty$ by keeping…
Quantitative numerical analyses of interacting dilute Bose-Einstein condensates are most often based on semi-classical approximations. Since the complex-valued field-theoretic action of the Bose gas does not offer itself to the direct…
We discuss the equilibrium properties of dilute Bose gases using a non-perturbative formalism based on auxiliary fields related to the normal and anomalous densities. We show analytically that for a dilute Bose gas of weakly-interacting…
We review how the local particle number cutoff introduced in [11] is used to build trial states for the dilute Bose gas that capture the substantial correlation structure of the ground state in the thermodynamic limit. In particular, we…
The ground state and structure of a one-dimensional Bose gas with dipolar repulsions is investigated at zero temperature by a combined Reptation Quantum Monte Carlo (RQMC) and bosonization approach. A non trivial Luttinger-liquid behavior…
We first consider an exactly solvable classical field model to understand the coherence properties and the density fluctuations of a one-dimensional (1D) weakly interacting degenerate Bose gas with repulsive interactions at temperatures…
Accurate prediction of spin-state energy difference is crucial for understanding the spin crossover (SCO) phenomena and is very challenging for the density functional approximations, especially for the local and semi-local approximations,…
The response of a one-dimensional fermion system is investigated using Density Functional Theory (DFT) within the Local Density Approximation (LDA), and compared with exact results. It is shown that DFT-LDA reproduces surprisingly well some…
We consider two regimes where a trapped Bose gas behaves as a one-dimensional system. In the first one the Bose gas is microscopically described by 3D mean field theory, but the trap is so elongated that it behaves as a 1D gas with respect…
In recent years, a variety of gradient-based methods have been developed to solve Bi-Level Optimization (BLO) problems in machine learning and computer vision areas. However, the theoretical correctness and practical effectiveness of these…
We consider a dilute gas in 3D composed of two species of bosons interacting through positive inter-species and intra-species pairwise potentials. We prove a second order expansion for the energy density in the thermodynamic limit. For the…
We study relativistic Bose-Einstein condensation at finite density and temperature using the linear sigma model in the one-particle-irreducible 1/N-expansion. We derive the effective potential to next-to-leading (NLO) order and show that it…
We develop and utilize the SU(3) truncated Wigner approximation (TWA) in order to analyze far-from-equilibrium quantum dynamics of strongly interacting Bose gases in an optical lattice. Specifically, we explicitly represent the…
Local lattice distortion (LLD) of refractory high-entropy alloys (RHEAs) plays an essential role in mechanical properties and phase stability. However, the random distribution of multi-principal constituents of RHEAs inhibits the…
Atomic effective pseudopotentials enable atomistic calculations at the level of accuracy of density functional theory for semiconductor nanostructures with up to fifty thousand atoms. Since they are directly derived from ab-initio…
The random Lorentz gas (RLG) is a minimal model of both percolation and glassiness, which leads to a paradox in the infinite-dimensional, $d\rightarrow\infty$ limit: the localization transition is then expected to be continuous for the…
This paper reports the model free determination of the two-fluid dynamics in a trapped two-dimensional Bose gas, relying on a local principal component analysis of the dynamics after a sudden excitation.
In this thesis are shown developments in the random phase approximation (RPA) in the context of range-separated theories. We present advances in the formalism of the RPA in general, and particularly in the "dielectric matrix" formulation of…
The behavior of the spatial two-particle correlation function is surveyed in detail for a uniform 1D Bose gas with repulsive contact interactions at finite temperatures. Both long-, medium-, and short-range effects are investigated. The…