Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
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Complexity and performance of numerical algorithms (65Y20) 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) Molecular physics (81V55) Proceedings, conferences, collections, etc. pertaining to quantum theory (81-06) Collections of abstracts of lectures (00B05)
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- A domain decomposition method for the polarizable continuum model based on the solvent excluded surface
- A mathematical aspect of Hohenberg-Kohn theorem
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- A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models
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- A remark on regularization in Hilbert spaces
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- An Egorov theorem for avoided crossings of eigenvalue surfaces
- Analysis of boundary conditions for crystal defect atomistic simulations
- Analysis of the extended coupled-cluster method in quantum chemistry
- Analysis of the projected coupled cluster method in electronic structure calculation
- Analysis of the tailored coupled-cluster method in quantum chemistry
- Analysis.
- Analytic Properties of Bloch Waves and Wannier Functions
- Analytic structure of many-body Coulombic wave functions
- Approximating spectral densities of large matrices
- Approximation and regularization of arbitrary functions in Hilbert spaces by the Lasry-Lions method
- Approximations for many-body Green's functions: insights from the fundamental equations
- Asymptotic parametrices of elliptic edge operators
- Bloch bundles, Marzari-Vanderbilt functional and maximally localized Wannier functions
- Compressed modes for variational problems in mathematics and physics
- Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
- Computing localized representations of the Kohn-Sham subspace via randomization and refinement
- Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation
- Construction of real-valued localized composite Wannier functions for insulators
- Convergence rates of supercell calculations in the reduced Hartree-Fock model
- Cubic scaling algorithms for RPA correlation using interpolative separable density fitting
- Data-sparse approximation to the operator-valued functions of elliptic operator
- Decay properties of spectral projectors with applications to electronic structure
- Discretized dynamical low-rank approximation in the presence of small singular values
- Disentanglement via Entanglement: A Unified Method for Wannier Localization
- Dynamical Low‐Rank Approximation
- Dynamical Tensor Approximation
- Electronic Structure
- Elliptic mixed, transmission and singular crack problems
- Error bars and quadratically convergent methods for the numerical simulation of the Hartree-Fock equations
- Error estimates for the coupled cluster method
- Existence of Hartree-Fock excited states for atoms and molecules
- Explicit Green operators for quantum mechanical Hamiltonians. I: The hydrogen atom
- Explicit Green operators for quantum mechanical Hamiltonians. II: Edge-type singularities of the helium atom
- Fast algorithm for periodic density fitting for Bloch waves
- Fast and accurate tensor approximation of a multivariate convolution with linear scaling in dimension
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- Fast tensor method for summation of long-range potentials on 3D lattices with defects.
- Geometric methods for nonlinear many-body quantum systems
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions
- Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation
- Ground-State Energy of a Many-Fermion System. II
- Hohenberg-Kohn theorem for Coulomb type systems and its generalization
- Localised Wannier functions in metallic systems
- Localized bases of eigensubspaces and operator compression
- Localized spectrum slicing
- Mathematical analysis and calculation of molecular surfaces
- Mesures semi-classiques et croisement de modes
- Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals
- On the stability problem of a pair of adjoint operators
- Optimal decay of Wannier functions in Chern and quantum Hall insulators
- Principal angles between subspaces in an A-based scalar product: Algorithms and perturbation estimates
- Pseudo-differential operators, singularities, applications
- Range-separated tensor format for many-particle modeling
- Regularity for evolution equations with non-autonomous perturbations in Banach spaces
- Regularization of Poisson-Boltzmann-type equations with singular source terms using the range-separated tensor format
- SCDM-k: localized orbitals for solids via selected columns of the density matrix
- Solution to the many-body problem in one point
- Solutions of Hartree-Fock equations for Coulomb systems
- Some open mathematical problems in electronic structure models and calculations
- Sparse grids approximation of Goldstone diagrams in electronic structure calculations
- Tensor numerical methods in scientific computing
- Tensor-structured factorized calculation of two-electron integrals in a general basis
- Tensor-train decomposition
- The continuous coupled cluster formulation for the electronic Schrödinger equation
- The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions
- Thermodynamic limit of crystal defects with finite temperature tight binding
- Time integration in the multiconfiguration time-dependent Hartree method of molecular quantum dynamics
- Time integration of tensor trains
- Triviality of Bloch and Bloch-Dirac bundles
- Two-grid methods for a class of nonlinear elliptic eigenvalue problems
- Unbounded self-adjoint operators on Hilbert space
- Unique continuation for Schrödinger operators with unbounded potentials
- Unphysical and physical solutions in many-body theories: from weak to strong correlation
- Variational Analysis
- Variational formulation for Wannier functions with entangled band structure
- Wannier90: A tool for obtaining maximally-localised Wannier functions
- \(O(d \log N)\)-quantics approximation of \(N\)-\(d\) tensors in high-dimensional numerical modeling
- \textit{A posteriori} analysis of a nonlinear Gross-Pitaevskii-type eigenvalue problem
Cited in
(6)- Mathematical methods in quantum chemistry. Abstracts from the workshop held June 26 -- July 2, 2011.
- scientific article; zbMATH DE number 739265 (Why is no real title available?)
- Mathematical and numerical aspects of quantum chemistry problems. Abstracts from the workshop held October 22--28, 2006.
- Mathematical methods in quantum molecular dynamics. Abstracts from the workshop held April 21--27, 2019
- Quantum systems in chemistry and physics. Progress in methods and applications. Selected papers based on the presentations at the 16th international workshop on quantum systems in chemistry and physics (QSCP-XVI), Kanazawa, Japan, September 11--17, 2011
- Mathematical methods in quantum molecular dynamics. Abstracts from the workshop held May 31 -- June 6, 2015
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