相关论文: Unfolding method for the first-principles LCAO ele…
In this article we classify normal forms and unfoldings of linear maps in eigenspaces of (anti)-automorphisms of order two. Our main motivation is provided by applications to linear systems of ordinary differential equations, general and…
Using unfolded top-quark decay data we can measure the top quark mass, as well as search for unexpected kinematic effects. We present a new generative unfolding method for the two tasks and show how they both benefit from unbinned,…
We report on the utility of using Shannons Sampling theorem to solve Quantum Mechanical systems. We show that by extending the logic of Shannons interpolation theorem we can define a Universal Lattice Basis, which has superior interpolating…
A new expression for the branching ratio for the decay via the E1 process in the normal-deformed band of superdeformed nuclei is given within a simple two-level model. Using this expression, the spreading or tunneling width Gamma^downarrow…
Motivated by the theory of Inoue-type varieties, we give a structure theorem for projective manifolds $W_0$ with the property of admitting a 1-parameter deformation where $W_t$ is a hypersurface in a projective smooth manifold $Z_t$. Their…
In single-molecule force spectroscopy experiments, the dependence of the mean unfolding force on the loading rate is used for obtaining information about the energetic and dynamic properties of the system under study. However, it is crucial…
Spectral functions play a central role in the characterization of a wide range of physical systems, including strongly interacting quantum field theories and many-body systems. Their non-perturbative determination from Euclidean correlation…
A selection of unfolding methods commonly used in High Energy Physics is compared. The methods discussed here are: bin-by-bin correction factors, matrix inversion, template fit, Tikhonov regularisation and two examples of iterative methods.…
Deep unfolding is a method of growing popularity that fuses iterative optimization algorithms with tools from neural networks to efficiently solve a range of tasks in machine learning, signal and image processing, and communication systems.…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
We develop a numerical approach based on the sinc basis set for first-principles electronic structure calculations in one-dimensional systems. The method exploits the inherent accuracy and non-local character of the sinc functions to handle…
In this paper, we generalize the weighted Fourier transform with respect to a function, originally proposed for the one-dimensional case in \cite{Dorrego}, to the $n$-dimensional Euclidean space $\mathbb{R}^{n}$. We develop a comprehensive…
This paper presents phononic band-structure calculation results obtained using a mixed variational formulation for 1-, and 2-dimensional unit cells. The formulation itself is presented in a form which is equally applicable to 3-dimensiomal…
Maximally-localized Wannier functions (MLWFs) are a powerful and broadly used tool to characterize the electronic structure of materials, from chemical bonding to dielectric response to topological properties. Most generally, one can…
We obtain upper estimates for the bottom (that is, greatest lower bound) of the essential spectrum of weighted Laplacian operator of a weighted manifold under assumptions of the volume growth of their geodesic balls and spheres.…
The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…
Layers of two-dimensional materials arranged at a twist angle with respect to each other lead to enlarged unit cells with potentially strongly altered band structures, offering a new arena for novel and engineered many-body ground states.…
We introduce a method that allows the evaluation of general expressions for the spectral functions of the one-dimensional Hubbard model for all values of the on-site electronic repulsion U. The spectral weights are expressed in terms of…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
Unfolding is a well-established tool in particle physics. However, a naive application of the standard regularization techniques to unfold the momentum spectrum of protons ejected in the process of negative muon nuclear capture led to a…