相关论文: Scheme for generalized maximally localized Wannier…
Multi-dimensional optimization is widely used in virtually all areas of modern astrophysics. However, it is often too computationally expensive to evaluate a model on-the-fly. Typically, it is solved by pre-computing a grid of models for a…
We study the localization of wave functions for one-dimensional Schr\"odinger Hamiltonians with random potentials $V(x)$ with short range correlations and large local fluctuations such that $\int\D{x} \smean{V(x)V(0)}=\infty$. A random…
External biasing forces are often applied to enhance sampling in regions of phase space which would otherwise be rarely observed. While the typical goal of these experiments is to calculate the potential of mean force (PMF) along the…
The most general way to describe localized atomic-like electronic states in strongly correlated compounds is to utilize Wannier functions. In the present paper we continue the development of widely-spread DFT+U method onto Wannier function…
For the filtering of peaks in periodic signals, we specify polynomial filters that are optimally localized in space. The space localization of functions having an expansion in terms of orthogonal polynomials is thereby measured by a…
The Wigner function formalism has been applied to the analysis of elastic scattering processes. The new element of known formalism is the choice of the phase space on which the Wigner function is defined. This phase space is 4-dimensional…
Superoscillatory wave forms, i.e., waves that locally oscillate faster than their highest Fourier component, possess unusual properties that make them of great interest from quantum mechanics to signal processing. However, the more…
We investigate the application of matrix product states to the Hubbard model in one spatial dimension with both of open and periodic boundary conditions. We develop the variatinal method that the optimization of the variational parameters…
Bands with non-trivial topological indices have a topological obstruction preventing them from being represented by exponentially localized Wannier states. Here, we propose a procedure to construct exponentially localized Wannier functions…
Let us assume that $f$ is a continuous function defined on the unit ball of $\mathbb R^d$, of the form $f(x) = g (A x)$, where $A$ is a $k \times d$ matrix and $g$ is a function of $k$ variables for $k \ll d$. We are given a budget $m \in…
We establish the characterizations of commutators of several versions of maximal functions on spaces of homogeneous type. In addition, with the aid of interpolation theory, we provide weighted version of the commutator theorems by…
We present in this paper a rather general method for the construction of so-called conditionally exactly solvable potentials. This method is based on algebraic tools known from supersymmetric quantum mechanics. Various families of…
We investigate a more generalized form of submodular maximization, referred to as $k$-submodular maximization, with applications across social networks and machine learning domains. In this work, we propose the multilinear extension of…
Wigner functions help visualise quantum states and dynamics while supporting quantitative analysis in quantum information. In the discrete setting, many inequivalent constructions coexist for each Hilbert-space dimension. This fragmentation…
This papers presents a formalism describing the dynamics of a quantum particle in a one-dimensional tilted time-dependent lattice. The description uses the Wannier-Stark states, which are localized in each site of the lattice and provides a…
Dimensional regularization is applied to the Lippmann-Schwinger equation for a separable potential which gives rise to logarithmic singularities in the Born series. For this potential a subtraction at a fixed energy can be used to…
The theory of Maximum Probability Domains (MPDs) is formulated for the Hubbard model in terms of projection operators and generating functions for both exact eigenstates as well as Slater determinants. A fast MPD analysis procedure is…
The ionization potential of molecular chains is well-known to be a tunable nano-scale property that exhibits clear quantum confinement effects. State-of-the-art methods can accurately predict the ionization potential in the small molecule…
We develop potential theory including a Bernstein-Walsh type estimate for functions of the form $p(z)q(f(z))$ where $p,q$ are polynomials and $f$ is holomorphic. Such functions arise in the study of certain ensembles of probability measures…
In these two related parts we present a set of methods, analytical and numerical, which can illuminate the behaviour of quantum system, especially in the complex systems. The key points demonstrating advantages of this approach are: (i)…