activity
20142022
most citedTensor Numerical Methods in Quantum Chemistry: from Hartree-Fock Energy to Excited States

72 citations · 187 across the 17 of their papers we have counts for

collaborators

18 papers

math.NA2022

Reduced Higher Order SVD: ubiquitous rank-reduction method in tensor-based scientific computing

Venera Khoromskaia, Boris N. Khoromskij

Tensor numerical methods, based on the rank-structured tensor representation of -variate functions and operators, are designed to provide complexity of numerical calcula…

math.NA2021★ 1 cited

Solution decomposition for the nonlinear Poisson-Boltzmann equation using the range-separated tensor format

Cleophas Kweyu, Venera Khoromskaia, Boris Khoromskij +2

The Poisson-Boltzmann equation (PBE) is an implicit solvent continuum model for calculating the electrostatic potential and energies of ionic solvated biomolecules. However, its nu…

math.NA2020★ 2 cited

Tensor-based techniques for fast discretization and solution of 3D elliptic equations with random coefficients

Venera Khoromskaia, Boris N. Khoromskij

In this paper, we propose and analyze the numerical algorithms for fast solution of periodic elliptic problems in random media in , . We consider the stochasti…

math.NA2020★ 3 cited

Tensor Method for Optimal Control Problems Constrained by Fractional 3D Elliptic Operator with Variable Coefficients

Britta Schmitt, Boris N. Khoromskij, Venera Khoromskaia +1

We introduce the tensor numerical method for solving optimal control problems that are constrained by fractional 2D and 3D elliptic operators with variable coefficients. We solve t…

math.NA2020★ 5 cited

Prospects of tensor-based numerical modeling of the collective electrostatic potential in many-particle systems

Venera Khoromskaia, Boris N. Khoromskij

Recently the rank-structured tensor approach suggested a progress in the numerical treatment of the long-range electrostatic potentials in many-particle systems and the respective…

math.NA2019★ 2 cited

Numerical study in stochastic homogenization for elliptic PDEs: convergence rate in the size of representative volume elements

Venera Khoromskaia, Boris N. Khoromskij, Felix Otto

We describe the numerical scheme for the discretization and solution of 2D elliptic equations with strongly varying piecewise constant coefficients arising in the stochastic homoge…

math.NA2019★ 5 cited

Computing electrostatic potentials using regularization based on the range-separated tensor format

Peter Benner, Venera Khoromskaia, Boris Khoromskij +2

In this paper, we apply the range-separated (RS) tensor format [6] for the construction of new regularization scheme for the Poisson-Boltzmann equation (PBE) describing the electro…

math.NA2018★ 2 cited

Tensor product method for fast solution of optimal control problems with fractional multidimensional Laplacian in constraints

Gennadij Heidel, Venera Khoromskaia, Boris N. Khoromskij +1

We introduce the tensor numerical method for solution of the -dimensional optimal control problems with fractional Laplacian type operators in constraints discretized on large $…

math.NA2018★ 2 cited

Computing the density of states for optical spectra by low-rank and QTT tensor approximation

Peter Benner, Venera Khoromskaia, Boris N. Khoromskij +1

In this paper, we introduce a new interpolation scheme to approximate the density of states (DOS) for a class of rank-structured matrices with application to the Tamm-Dancoff appro…

math.NA2017

Tucker Tensor analysis of Matern functions in spatial statistics

Alexander Litvinenko, David Keyes, Venera Khoromskaia +2

In this work, we describe advanced numerical tools for working with multivariate functions and for the analysis of large data sets. These tools will drastically reduce the required…

math.NA2017

Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach

V. Khoromskaia, B. N. Khoromskij

This paper introduces and analyses the new grid-based tensor approach to approximate solution of the elliptic eigenvalue problem for the 3D lattice-structured systems. We consider…

math.NA2016★ 4 cited

Range-separated tensor formats for numerical modeling of many-particle interaction potentials

Peter Benner, Venera Khoromskaia, Boris N. Khoromskij

We introduce and analyze the new range-separated (RS) canonical/Tucker tensor format which aims for numerical modeling of the 3D long-range interaction potentials in multi-particle…

math.NA2016★ 24 cited

Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation

Peter Benner, Sergey Dolgov, Venera Khoromskaia +1

In this paper, we study and implement the structural iterative eigensolvers for the large-scale eigenvalue problem in the Bethe-Salpeter equation (BSE) based on the reduced basis a…

math.NA2015★ 25 cited

A reduced basis approach for calculation of the Bethe-Salpeter excitation energies using low-rank tensor factorizations

Peter Benner, Venera Khoromskaia, Boris N. Khoromskij

The Bethe-Salpeter equation (BSE) is a reliable model for estimating the absorption spectra in molecules and solids on the basis of accurate calculation of the excited states from…

math.NA2015★ 72 cited

Tensor Numerical Methods in Quantum Chemistry: from Hartree-Fock Energy to Excited States

Venera Khoromskaia, Boris N. Khoromskij

We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the l…

math.NA2014★ 3 cited

Tucker tensor method for fast grid-based summation of long-range potentials on 3D lattices with defects

Venera Khoromskaia, Boris N. Khoromskij

In this paper, we present a method for fast summation of long-range potentials on 3D lattices with multiple defects and having non-rectangular geometries, based on rank-structured…

math.NA2014★ 2 cited

Tensor Numerical Approach to Linearized Hartree-Fock Equation for Lattice-type and Periodic Systems

Venera Khoromskaia, Boris N. Khoromskij

This paper introduces and analyses the new grid-based tensor approach for approximate solution of the eigenvalue problem for linearized Hartree-Fock equation applied to the 3D latt…

math.NA2014★ 35 cited

Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation

Venera Khoromskaia, Boris N. Khoromskij

We introduce and study a novel tensor approach for fast and accurate assembled summation of a large number of lattice-allocated potentials represented on 3D gr…