Related papers: Revisiting Transformation and Directional Technolo…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…
Variational inequalities play a key role in machine learning research, such as generative adversarial networks, reinforcement learning, adversarial training, and generative models. This paper is devoted to the constrained variational…
Reciprocity is a fundamental principle of wave physics and directly relates to the symmetry in the transmission through a system when interchanging the input and output. The coherent transmission matrix (TM) is a convenient method to…
Graph signal processing (GSP) facilitates the analysis of high-dimensional data on non-Euclidean domains by utilizing graph signals defined on graph vertices. In addition to static data, each vertex can provide continuous time-series…
The crucial step in density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) is to decide whether the density produced by the density functional for a specific calculation is erroneous and hence should be replaced by, in this…
To explore whether the density-functional theory non-equilibrium Green's function formalism (DFT-NEGF) provides a rigorous framework for quantum transport, we carried out time-dependent density functional theory (TDDFT) calculations of the…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
With the integration of communication and computing, it is expected that part of the computing is transferred to the transmitter side. In this paper we address the general problem of Frequency Modulation (FM) for function approximation…
We unify the discrete Fourier transform (DFT), discrete cosine transform (DCT), Walsh-Hadamard, Haar wavelet, Karhunen-Lo\`eve transform, and several others along with their continuous counterparts (Fourier transform, Fourier series,…
The fast Fourier transform, FFT, is a useful and prevalent algorithm in signal processing. It characterizes the spectral components of a signal, or is used in combination with other operations to perform more complex computations such as…
For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each…
Report II is concerned with the extended results of distance function wavelets (DFW). The fractional DFW transforms are first addressed relating to the fractal geometry and fractional derivative, and then, the discrete Helmholtz-Fourier…
We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be…
In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic…
We study the non-equilibrium dynamics of conformal field theory (CFT) in 1+1 dimensions with a smooth position-dependent velocity $v(x)$ explicitly breaking translation invariance. Such inhomogeneous CFT is argued to effectively describe…
Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…
This two-part paper explores the use of FP in the design and optimization of communication systems. Part I of this paper focuses on FP theory and on solving continuous problems. The main theoretical contribution is a novel quadratic…
The one-dimensional (1D) fractional Fourier transform (FRFT) generalizes the Fourier transform, offering significant advantages in the time-frequency analysis of non-stationary signals. While various 2D extensions exist, such as the 2D…
HF-DFT, the practice of evaluating approximate density functionals on Hartree-Fock densities, has long been used in testing density functional approximations. Density-corrected DFT (DC-DFT) is a general theoretical framework for identifying…
Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…