Related papers: Wavefunctions for large electronic systems

Wavelet decompositions of integral operators have proven their efficiency in reducing computing times for many problems, ranging from the simulation of waves or fluids to the resolution of inverse problems in imaging. Unfortunately,…

This paper introduces an axiomatic approach in the theory of energy dissipation in Hilbert envelopes on waveforms emanating from various vibrating systems. A Hilbert envelope is a curve tangent to peak points on a motion waveform. The basic…

The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…

The first-principle prediction of nanocluster stable structure is often hampered by the existence of many isomer configurations with energies close to the ground state. This fact attaches additional importance to many-electron effects going…

We study a class of localized solutions of the wave equation, called eigenwavelets, obtained by extending its fundamental solutions to complex spacetime in the sense of hyperfunctions. The imaginary spacetime variables y, which form a…

Fractals are self-repeating patterns which have dimensions given by fractions rather than integers. While the dimension of a system unambiguously defines its properties, a fractional dimensional system can exhibit interesting properties.…

An efficient low-order scaling method is presented for large-scale electronic structure calculations based on the density functional theory using localized basis functions, which directly computes selected elements of the density matrix by…

It is known that homogeneous distribution of particles in Coulomb-like systems can be unstable, and spatially inhomogeneous structures can be formed. A simple method for describing such inhomogeneous systems and obtaining spacial…

We investigate the meaning of the wave function by analyzing the mass and charge density distribution of a quantum system. According to protective measurement, a charged quantum system has mass and charge density proportional to the modulus…

Multiresolution analysis of electronic structure affords the opportunity to capture the full physics of atomic cores in a systematically improvable manner. Applying new techniques, we demonstrate for the first time that multiresolution…

The Euler's equations describe the motion of inviscid fluid. In the case of shallow water, when a perturbative asymtotic expansion of the Euler's equations is taken (to a certain order of smallness of the scale parameters), relations to…

We study the phenomenon of Hilbert space fragmentation in isolated Hamiltonian and Floquet quantum systems using the language of commutant algebras, the algebra of all operators that commute with each term of the Hamiltonian or each gate of…

Plasma walls accumulate electrons more efficiently than ions leading to wall potentials which are negative with respect to the plasma potential. Theoretically, walls are usually treated as perfect absorber for electrons and ions implying…

We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…

Relations between particle and wave properties for charge carriers in periodic potentials of crystalline metals and semiconductors are derived. The particle aspects of electrons and holes in periodic potentials are considered using…

For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…

We report numerical investigations of wave turbulence in a vibrating plate. The possibility to implement advanced measurement techniques and long time numerical simulations makes this system extremely valuable for wave turbulence studies.…

We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each Wannier function using a generalized density functional perturbation…

Field localization, characterized by mode volume, is central to optics, photonics, and all light-matter interactions. Smaller mode volumes amplify the electric field per photon, enhancing spontaneous emission, strengthening nonlinear…

Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent…