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1

Black-Box Hartree–Fock Solver by Tensor Numerical Methods

Khoromskaia, Venera

Journal:

Computational Methods in Applied Mathematics

Year:

2014

Language:

english

File:

PDF, 2.83 MB

english, 2014

2

Fast tensor method for summation of long-range potentials on 3D lattices with defects

Khoromskaia, Venera, Khoromskij, Boris N.

Journal:

Numerical Linear Algebra with Applications

Year:

2016

Language:

english

File:

PDF, 2.32 MB

english, 2016

3

Tensor decomposition in electronic structure calculations on 3D Cartesian grids

B.N. Khoromskij, V. Khoromskaia, S.R. Chinnamsetty, H.-J. Flad

Journal:

Journal of Computational Physics

Year:

2009

Language:

english

File:

PDF, 1.48 MB

english, 2009

4

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

Khoromskaia, Venera, Khoromskij, Boris N.

Journal:

Computer Physics Communications

Year:

2014

Language:

english

File:

PDF, 1.09 MB

english, 2014

5

Tensor numerical methods in quantum chemistry: from Hartree–Fock to excitation energies

Khoromskaia, Venera, Khoromskij, Boris N.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.49 MB

english, 2015

6

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

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

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 844 KB

english, 2016

7

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

Benner, Peter, Dolgov, Sergey, Khoromskaia, Venera, Khoromskij, Boris N.

Journal:

Journal of Computational Physics

Year:

2017

Language:

english

File:

PDF, 881 KB

english, 2017

8

Block Circulant and Toeplitz Structures in the Linearized Hartree–Fock Equation on Finite Lattices: Tensor Approach

Khoromskaia, Venera, Khoromskij, Boris N.

Journal:

Computational Methods in Applied Mathematics

Year:

2017

Language:

english

File:

PDF, 1.58 MB

english, 2017

9

Computation of the Hartree-Fock Exchange by the Tensor-Structured Methods

Khoromskaia, V.

Journal:

Computational Methods in Applied Mathematics

Year:

2010

Language:

english

File:

PDF, 734 KB

english, 2010

10

Range-Separated Tensor Format for Many-Particle Modeling

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

Journal:

SIAM Journal on Scientific Computing

Year:

2018

Language:

english

File:

PDF, 785 KB

english, 2018

11

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

Benner, Peter, Khoromskaia, Venera, Khoromskij, Boris N., Yang, Chao

Journal:

Journal of Computational Physics

Year:

2019

Language:

english

File:

PDF, 1006 KB

english, 2019

12

Tensor Numerical Methods in Quantum Chemistry || 2. Rank-structured formats for multidimensional tensors

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

Language:

english

File:

PDF, 622 KB

english, 2018

13

Tensor Numerical Methods in Quantum Chemistry || 13. Density of states for a class of rank-structured matrices

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 640 KB

2018

14

Tensor Numerical Methods in Quantum Chemistry || 8. Multilevel grid-based tensor-structured HF solver

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 585 KB

2018

15

Tensor Numerical Methods in Quantum Chemistry || 15. Range-separated tensor format for many-particle systems

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 756 KB

2018

16

Tensor Numerical Methods in Quantum Chemistry || 9. Grid-based core Hamiltonian

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 434 KB

2018

17

Tensor Numerical Methods in Quantum Chemistry || 3. Rank-structured grid-based representations of functions in ℝd

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 8.45 MB

2018

18

Tensor Numerical Methods in Quantum Chemistry || 14. Tensor-based summation of long-range potentials on finite 3D lattices

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 13.86 MB

2018

19

Tensor Numerical Methods in Quantum Chemistry || 12. Calculation of excitation energies of molecules

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 616 KB

2018

20

Tensor Numerical Methods in Quantum Chemistry || 10. Tensor factorization of grid-based two-electron integrals

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 425 KB

2018

21

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

Heidel, Gennadij, Khoromskaia, Venera, Khoromskij, Boris N., Schulz, Volker

Journal:

Journal of Computational Physics

Year:

2021

File:

PDF, 242 KB

2021

22

Low rank Tucker-type tensor approximation to classical potentials

B. N. Khoromskij, V. Khoromskaia

Journal:

Central European Journal of Mathematics

Year:

2007

Language:

english

File:

PDF, 1.15 MB

english, 2007

23

Approximation of the electron density of Aluminium clusters in tensor-product format

T. Blesgen, V. Gavini, V. Khoromskaia

Journal:

Journal of Computational Physics

Year:

2012

Language:

english

File:

PDF, 3.34 MB

english, 2012

24

Fast and accurate 3D tensor calculation of the Fock operator in a general basis

V. Khoromskaia, D. Andrae, B.N. Khoromskij

Journal:

Computer Physics Communications

Year:

2012

Language:

english

File:

PDF, 771 KB

english, 2012

25

Multigrid Accelerated Tensor Approximation of Function Related Multidimensional Arrays

Khoromskij, B. N., Khoromskaia, V.

Journal:

SIAM Journal on Scientific Computing

Year:

2009

Language:

english

File:

PDF, 763 KB

english, 2009

26

Numerical Solution of the Hartree–Fock Equation in Multilevel Tensor-Structured Format

Khoromskij, B. N., Khoromskaia, V., Flad, H.-J.

Journal:

SIAM Journal on Scientific Computing

Year:

2011

Language:

english

File:

PDF, 1.21 MB

english, 2011

27

Møller–Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals

Khoromskaia, V., Khoromskij, B.N.

Journal:

Computer Physics Communications

Year:

2014

Language:

english

File:

PDF, 576 KB

english, 2014

28

Tensor-Structured Factorized Calculation of Two-Electron Integrals in a General Basis

Khoromskaia, V., Khoromskij, B. N., Schneider, R.

Journal:

SIAM Journal on Scientific Computing

Year:

2013

Language:

english

File:

PDF, 1.86 MB

english, 2013

29

Dynamics of non-Markovian exclusion processes

Khoromskaia, Diana, Harris, Rosemary J, Grosskinsky, Stefan

Journal:

Journal of Statistical Mechanics Theory and Experiment

Year:

2014

Language:

english

File:

PDF, 333 KB

english, 2014

30

Motility of active fluid drops on surfaces

Khoromskaia, Diana, Alexander, Gareth P.

Journal:

Physical Review E

Year:

2015

Language:

english

File:

PDF, 2.38 MB

english, 2015

31

QTT Representation of the Hartree and Exchange Operators in Electronic Structure Calculations

Khoromskaia, Venera, Khoromskij, Boris, Schneider, Reinhold

Journal:

Computational Methods in Applied Mathematics

Year:

2011

Language:

english

File:

PDF, 226 KB

english, 2011

32

Vortex formation and dynamics of defects in active nematic shells

Khoromskaia, Diana, Alexander, Gareth P

Journal:

New Journal of Physics

Year:

2017

Language:

english

File:

PDF, 1.65 MB

english, 2017

33

Tensor Numerical Methods in Quantum Chemistry || Bibliography

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 189 KB

2018

34

Tensor Numerical Methods in Quantum Chemistry || 6. Tensor decomposition for analytic potentials

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 288 KB

2018

35

Tensor Numerical Methods in Quantum Chemistry || 5. Multidimensional tensor-product convolution

Khoromskaia, Venera, Khoromskij, Boris N.

Year:

2018

File:

PDF, 359 KB

2018

36

Numerical study in stochastic homogenization for elliptic partial differential equations: Convergence rate in the size of representative volume elements

Khoromskaia, Venera, Khoromskij, Boris N., Otto, Felix

Journal:

Numerical Linear Algebra with Applications

Year:

2020

Language:

english

File:

PDF, 3.82 MB

english, 2020