Numerical solution of the Hartree-Fock equation in multilevel tensor-structured format
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canonical modelColoumb and exchange matricescomputational quantum chemistrydiscrete convolutionerror boundsGalerkin discretizationHartree-Fock equationmultilevel self-consistent field iterationnumerical examplesorthogonal Tucker tensor decompositiontensor-truncated methods
PDEs in connection with quantum mechanics (35Q40) Iterative numerical methods for linear systems (65F10) Error bounds for boundary value problems involving PDEs (65N15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Other elementary particle theory in quantum theory (81V25)
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- Tensor numerical methods in quantum chemistry
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- A combined analytical and numerical strategy to solve the atomic Hartree- Fock equations in momentum space
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach
- Low-rank tensor representation of Slater-type and hydrogen-like orbitals.
- Superfast Fourier transform using QTT approximation
- Low-rank quadrature-based tensor approximation of the Galerkin projected Newton/Yukawa kernels
- Direct tensor-product solution of one-dimensional elliptic equations with parameter-dependent coefficients
- On reverse-order law of tensors and its application to additive results on Moore-Penrose inverse
- Prospects of tensor-based numerical modeling of the collective electrostatics in many-particle systems
- Reverse-order law for weighted Moore-Penrose inverse of tensors
- A low-rank approach to the computation of path integrals
- QTT-finite-element approximation for multiscale problems. I: Model problems in one dimension
- Computation of the Hartree-Fock exchange by the tensor-structured methods
- QTT representation of the Hartree and exchange operators in electronic structure calculations
- Adaptive low-rank methods: problems on Sobolev spaces
- A literature survey of low-rank tensor approximation techniques
- Simultaneous state-time approximation of the chemical master equation using tensor product formats.
- Using the Tensor-Train Approach to Solve the Ground-State Eigenproblem for Hydrogen Molecules
- Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals
- Computation of extreme eigenvalues in higher dimensions using block tensor train format
- The geometry of algorithms using hierarchical tensors
- Low-rank tensor structure of linear diffusion operators in the TT and QTT formats
- Approximation of the electron density of aluminium clusters in tensor-product format
- Numerical tensor calculus
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- Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation
- The preconditioned inverse iteration for hierarchical matrices
- Black-box Hartree-Fock solver by tensor numerical methods
- Tensor numerical methods for multidimensional PDEs: theoretical analysis and initial applications
- On the Compressibility of Tensors
- Low-rank tensor methods for partial differential equations
- Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry
- On tensor approximation of Green iterations for Kohn-Sham equations
- Tensor decompositions for the bubbles and cube numerical framework
- Numerical solution of the Hartree-Fock equation by multilevel tensor-structured methods
- Solution decomposition for the nonlinear Poisson-Boltzmann equation using the range-separated tensor format
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