Related papers: Computing vibrational energy levels by solving lin…
Atomic forces are calculated for first-row monohydrides and carbon monoxide within electronic quantum Monte Carlo (QMC). Accurate and efficient forces are achieved by using an improved method for moving variational parameters in variational…
In model building studies, it is important to check the energy conditions for the corresponding energy-momentum tensor determined by the gravitational field equations in order to single out physically reasonable models. In this process, one…
In this paper, we propose a new approach to solve low-rank tensor completion and robust tensor PCA. Our approach is based on some novel notion of (even-order) tensor ranks, to be called the M-rank, the symmetric M-rank, and the strongly…
The problem of tensor completion has applications in healthcare, computer vision, and other domains. However, past approaches to tensor completion have faced a tension in that they either have polynomial-time computation but require…
The main task of an energy calibration is to find a relation between pulse-height values and the corresponding energies. Doing this for each pulse-height channel individually requires an elaborated input spectrum with an excellent counting…
Tensors in the form of multilinear arrays are ubiquitous in data science applications. Captured real-world data, including video, hyperspectral images, and discretized physical systems, naturally occur as tensors and often come with…
A coherent state technique is used to generate an Interacting Boson Model (IBM) Hamiltonian energy surface that simulates a mean field energy surface. The method presented here has some significant advantages over previous work.…
Higher-order tensors can represent scores in a rating system, frames in a video, and images of the same subject. In practice, the measurements are often highly quantized due to the sampling strategies or the quality of devices. Existing…
Because of the attractiveness of the canonical polyadic (CP) tensor decomposition in various applications, several algorithms have been designed to compute it, but efficient ones are still lacking. Iterative deflation algorithms based on…
Full-dimensional (12D) vibrational states of the methanol molecule (CH$_3$OH) have been computed using the GENIUSH-Smolyak approach and the potential energy surface from Qu and Bowman (2013). All vibrational energies are converged better…
We study extensions of compressive sensing and low rank matrix recovery to the recovery of low rank tensors from incomplete linear information. While the reconstruction of low rank matrices via nuclear norm minimization is rather…
Accurately evaluating configurational integrals for dense solids remains a central and difficult challenge in the statistical mechanics of condensed systems. Here, we present a novel tensor network approach that reformulates the…
We give a new representation as tempered distribution for the energy-momentum tensor of a system of charged point-particles, which is free from divergent self-interactions, manifestly Lorentz-invariant and symmetric, and conserved. We…
A computational model is presented to calculate the ground state energy of neutral and charged excitons confined in semiconductor quantum dots. The model is based on the variational Quantum Monte Carlo method and effective mass…
Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…
Gravitational radiation in plane-symmetric space-times can be encoded in a complex potential, satisfying a non-linear wave equation. An effective energy tensor for the radiation is given, taking a scalar-field form in terms of the…
Curvilinear kinetic energy models are developed for variational nuclear motion computations including the inter- and the low-frequency intra-molecular degrees of freedom of the formic acid dimer. The coupling of the inter- and…
Resonant vibrational and rotation-vibration excitation cross sections for electron-CO scattering are calculated in the 0-10 eV energy range for all 81 vibrational states of CO, assuming that the excitation occur via the 2{\Pi} shape…
The tensor rank decomposition problem consists of recovering the unique set of parameters representing a robustly identifiable low-rank tensor when the coordinate representation of the tensor is presented as input. A condition number for…
We report calculations of energy levels, radiative rates, oscillator strengths and line strengths for transitions among the lowest 231 levels of Ti VII. The general-purpose relativistic atomic structure package ({\sc grasp}) and flexible…