Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
DOI10.4171/OWR/2018/13zbMath1409.00078OpenAlexW4238990692MaRDI QIDQ1731981
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Publication date: 15 March 2019
Published in: Oberwolfach Reports (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.4171/owr/2018/13
Proceedings of conferences of miscellaneous specific interest (00B25) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Proceedings, conferences, collections, etc. pertaining to quantum theory (81-06) Collections of abstracts of lectures (00B05) Molecular physics (81V55) Complexity and performance of numerical algorithms (65Y20)
Uses Software
Cites Work
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- Tensor-Train Decomposition
- Tensor numerical methods in scientific computing
- Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals
- Asymptotic parametrices of elliptic edge operators
- Analysis of boundary conditions for crystal defect atomistic simulations
- Bloch bundles, Marzari-Vanderbilt functional and maximally localized Wannier functions
- A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations
- Advances in relativistic molecular quantum mechanics
- Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation
- Geometric methods for nonlinear many-body quantum systems
- Explicit Green operators for quantum mechanical Hamiltonians. I: The hydrogen atom
- Pseudo-differential operators, singularities, applications
- Fast algorithm for periodic density fitting for Bloch waves
- Approximation and regularization of arbitrary functions in Hilbert spaces by the Lasry-Lions method
- Wannier90: A tool for obtaining maximally-localised Wannier functions
- \(O(d \log N)\)-quantics approximation of \(N\)-\(d\) tensors in high-dimensional numerical modeling
- Mathematical analysis and calculation of molecular surfaces
- A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models
- Analysis of the projected coupled cluster method in electronic structure calculation
- Fast and accurate tensor approximation of a multivariate convolution with linear scaling in dimension
- Analytic structure of many-body Coulombic wave functions
- A remark on regularization in Hilbert spaces
- Unique continuation for Schrödinger operators with unbounded potentials
- Error bars and quadratically convergent methods for the numerical simulation of the Hartree-Fock equations
- The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions
- Cubic scaling algorithms for RPA correlation using interpolative separable density fitting
- SCDM-k: localized orbitals for solids via selected columns of the density matrix
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- A mathematical aspect of Hohenberg-Kohn theorem
- Localised Wannier functions in metallic systems
- Existence of Hartree-Fock excited states for atoms and molecules
- Optimal decay of Wannier functions in Chern and quantum Hall insulators
- Thermodynamic limit of crystal defects with finite temperature tight binding
- Solutions of Hartree-Fock equations for Coulomb systems
- Hohenberg-Kohn theorem for Coulomb type systems and its generalization
- Sparse grids approximation of Goldstone diagrams in electronic structure calculations
- Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation
- An Egorov theorem for avoided crossings of eigenvalue surfaces
- Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
- A projector-splitting integrator for dynamical low-rank approximation
- Triviality of Bloch and Bloch-Dirac bundles
- Elliptic mixed, transmission and singular crack problems
- Principal Angles between Subspaces in an A-Based Scalar Product: Algorithms and Perturbation Estimates
- Discretized Dynamical Low-Rank Approximation in the Presence of Small Singular Values
- Approximating Spectral Densities of Large Matrices
- Convergence rates of supercell calculations in the reduced Hartree−Fock model
- The continuous Coupled Cluster formulation for the electronic Schrödinger equation
- Localized spectrum slicing
- Localized bases of eigensubspaces and operator compression
- Dynamical Tensor Approximation
- Mesures semi-classiques et croisement de modes
- Analytic Properties of Bloch Waves and Wannier Functions
- Ground-State Energy of a Many-Fermion System. II
- On the stability problem of a pair of adjoint operators
- Solution to the many-body problem in one point
- Time Integration in the Multiconfiguration Time-Dependent Hartree Method of Molecular Quantum Dynamics
- Variational Analysis
- Two-grid methods for a class of nonlinear elliptic eigenvalue problems
- Regularity for evolution equations with non-autonomous perturbations in Banach spaces
- A domain decomposition method for the polarizable continuum model based on the solvent excluded surface
- Computing Localized Representations of the Kohn--Sham Subspace Via Randomization and Refinement
- Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry
- Variational Formulation for Wannier Functions with Entangled Band Structure
- Range-Separated Tensor Format for Many-Particle Modeling
- Aposteriorianalysis of a nonlinear Gross–Pitaevskii-type eigenvalue problem
- Disentanglement via Entanglement: A Unified Method for Wannier Localization
- Data-sparse approximation to the operator-valued functions of elliptic operator
- Decay Properties of Spectral Projectors with Applications to Electronic Structure
- Explicit Green operators for quantum mechanical Hamiltonians. II. Edge-type singularities of the helium atom
- Some open mathematical problems in electronic structure models and calculations
- Unphysical and physical solutions in many-body theories: from weak to strong correlation
- Approximations for many-body Green's functions: insights from the fundamental equations
- Compressed modes for variational problems in mathematics and physics
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions
- Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry
- Time Integration of Tensor Trains
- Tensor-Structured Factorized Calculation of Two-Electron Integrals in a General Basis
- Error estimates for the Coupled Cluster method
- Dynamical Low‐Rank Approximation
- Electronic Structure
- Fast tensor method for summation of long‐range potentials on 3D lattices with defects
- Regularization of Poisson--Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format
- Construction of real-valued localized composite Wannier functions for insulators
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