Related papers: N-representable one-electron reduced density matri…
Crystal orientation and strain mapping of an individual curved and asymmetrical core-shell hetero-nanowire is performed based on transmission electron microscopy. It relies on a comprehensive analysis of scanning nanobeam electron…
Reflections often degrade the visual quality of images captured through transparent surfaces, and reflection removal methods suffers from the shortage of paired real-world samples.This paper proposes a hybrid approach that combines…
There is a growing interest in reconstructing the density matrix of photoelectron wavepackets, in particular in complex systems where decoherence can be introduced either by a partial measurement of the system or through coupling with a…
Minimizing the energy of an $N$-electron system as a functional of a two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions (conditions for the 2-RDM to represent an ensemble $N$-electron…
By using the density matrix renormalization group (DMRG) technique, the incommensurate quantum Frenkel-Kontorova model is investigated numerically. It is found that when the quantum fluctuation is strong enough, the \emph{g}-function…
Single-image HDR reconstruction aims to recover high dynamic range radiance from a single low dynamic range (LDR) input, but remains highly ill-posed due to detail saturation in over-exposed regions and noise amplification in under-exposed…
We introduce a cyclotomic representation for finite $q$-hypergeometric series and $q$-deformed amplitudes that separates algebraic structure from evaluation. By expressing each summand in a sparse exponent basis over irreducible cyclotomic…
One-electron reduced density matrices (1RDMs) from equation-of-motion (EOM) coupled-cluster with single and double excitations (CCSD) calculations are analyzed to assess their N-representability ({\em i.e.}, whether they are derivable from…
Cryo-electron microscopy (cryo-EM) allows for the high-resolution reconstruction of 3D structures of proteins and other biomolecules. Successful reconstruction of both shape and movement greatly helps understand the fundamental processes of…
Recently, the transform-based tensor representation has attracted increasing attention in multimedia data (e.g., images and videos) recovery problems, which consists of two indispensable components, i.e., transform and characterization.…
The growing role of data-driven approaches to scientific discovery has unveiled a large class of models that involve latent transformations with a rigid algebraic constraint. Three-dimensional molecule reconstruction in Cryo-Electron…
The two-electron reduced density matrix (2RDM) carries enough information to evaluate the electronic energy of a many-electron system. The variational 2RDM (v2RDM) approach seeks to determine the 2RDM directly, without knowledge of the wave…
Speden is a computer program that reconstructs the electron density of single particles from their x-ray diffraction patterns, using a single-particle adaptation of the Holographic Method in crystallography. (Szoke, A., Szoke, H., and…
We reformulate the density matrix renormalization group method (DMRG) in terms of a single block, instead of the standard left and right blocks used in the construction of the superblock. This version of the DMRG, which we call the puncture…
The cryo-electron microscope (cryo-EM) is increasingly popular these years. It helps to uncover the biological structures and functions of macromolecules. In this paper, we address image denoising problem in cryo-EM. Denoising the cryo-EM…
Single-crystal X-ray diffraction (SC-XRD) is the gold standard technique to characterize crystal structures in solid state. Despite significant advances in automation for structure solution, the refinement stage still depends heavily on…
We have measured the resonance strengths and energies for dielectronic recombination (DR) of Fe XX forming Fe XIX via N=2 --> N'=2 (Delta_N=0) core excitations. We have also calculated the DR resonance strengths and energies using…
Machine learning is rapidly accelerating materials and chemical discovery, but most current models target energies, forces, or selected molecular properties rather than the underlying many-body electronic structure. Learning…
The advent of synchrotron sources has led to an increasing availability of high resolution Compton Profiles J(pz) and a consequent renewed interest in the reconstruction of the corresponding full momentum densities rho(p). We present…
We have studied quantum data compression for finite quantum systems where the site density matrices are not independent, i.e., the density matrix cannot be given as direct product of site density matrices and the von Neumann entropy is not…