Related papers: Hamiltonian transformation for accurate and effici…
The tensor-train (TT) format is a data-sparse tensor representation commonly used in high dimensional data approximations. In order to represent data with interpretability in data science, researchers develop data-centric skeletonized low…
In this work, a kernel-based surrogate for integrating Hamiltonian dynamics that is symplectic by construction and tailored to large prediction horizons is proposed. The method learns a scalar potential whose gradient enters a…
In recent years, commercial HTS superconductors have gained an increasing interest for their use in applications involving large-scale superconductor systems. These systems are typically made from hundreds to thousands of turns of…
A mapping technique is used to derive in the context of constituent quark models effective Hamiltonians that involve explicit hadron degrees of freedom. The technique is based on the ideas of mapping between physical and ideal Fock spaces…
We introduce a method for the search of parent Hamiltonians of input wave-functions based on the structure of their reduced density matrix. The two key elements of our recipe are an ansatz on the relation between reduced density matrix and…
We present a similarity transformation theory based on a polynomial form of a particle-hole pair excitation operator. In the weakly correlated limit, this polynomial becomes an exponential, leading to coupled cluster doubles. In the…
With the advent of near-term quantum computers, the simulation of properties of solids using quantum algorithms becomes possible. By an adequate description of the system's Hamiltonian, variational methods enable to fetch the band structure…
The Exact Foldy-Wouthuysen transformation (EFWT) method is generalized here. In principle, it is not possible to construct the EFWT to any Hamiltonian. The transformation conditions are the same but the involution operator has a new form.…
Pansharpening aims to enhance remote sensing image (RSI) quality by merging high-resolution panchromatic (PAN) with multispectral (MS) images. However, prior techniques struggled to optimally fuse PAN and MS images for enhanced spatial and…
Over the last two decades, following the early developments on maximally localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software packages leveraging the Wannier representation has flourished.…
We present efficient methods to interpolate data with a quantum computer that complement uploading techniques and quantum post-processing. The quantum algorithms are supported by the efficient Quantum Fourier Transform (QFT) and classical…
Variational algorithms have received significant attention in recent years due to their potential to solve practical problems using noisy intermediate-scale quantum (NISQ) devices. A fundamental step of these algorithms is the evaluation of…
In multiband fusion, an image with a high spatial and low spectral resolution is combined with an image with a low spatial but high spectral resolution to produce a single multiband image having high spatial and spectral resolutions. This…
We present Wavemoth, an experimental open source code for computing scalar spherical harmonic transforms (SHTs). Such transforms are ubiquitous in astronomical data analysis. Our code performs substantially better than existing publicly…
A non-iterative method is presented to calculate the closest Wannier functions (CWFs) to a given set of localized guiding functions, such as atomic orbitals, hybrid atomic orbitals, and molecular orbitals, based on minimization of a…
We generalize a recently proposed approach for the construction of pseudo-Hermitian Hamiltonians with real spectra. Present technique is based on a simple and straightforward similarity transformation of the coordinate and momentum.
Localized basis sets in the projector augmented wave formalism allow for computationally efficient calculations within density functional theory (DFT). However, achieving high numerical accuracy requires an extensive basis set, which also…
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approximation for diabatic couplings we derive an analytical…
Purpose: To evaluate a proposed method to reconstruct CT numbers that accurately mimic conventional CT numbers from spectral CT data, as would have been produced by a conventional system without effects of beam hardening. Approach: We…
In this paper, we propose a new trigonometric interpolation algorithm and establish relevant convergent properties. The method adjusts an existing trigonometric interpolation algorithm such that it can better leverage Fast Fourier Transform…