On variational approximations in quantum molecular dynamics
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PDEs in connection with quantum mechanics (35Q40) Error bounds for initial value and initial-boundary value problems involving PDEs (65M15) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)
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Cites work
- Adiabatic perturbation theory in quantum dynamics
- An introduction to semiclassical and microlocal analysis
- Finite element methods (Part 1)
- scientific article; zbMATH DE number 46777 (Why is no real title available?)
- scientific article; zbMATH DE number 3533576 (Why is no real title available?)
- scientific article; zbMATH DE number 2046095 (Why is no real title available?)
- scientific article; zbMATH DE number 3020007 (Why is no real title available?)
- On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives
Cited in
(33)- Dynamical low-rank approximation: Applications and numerical experiments
- A generalization of the molecular dynamics method for calculating quantum-mechanical means
- A variational method to treat diffuse states in weakly bound trimers
- On the Dirac-Frenkel variational principle on tensor Banach spaces
- Low rank Tucker-type tensor approximation to classical potentials
- Tensor-product approximation to operators and functions in high dimensions
- Approximation of the time-dependent electronic Schrödinger equation by MCTDHF
- Introduction to direct variational and moment methods and an application to the Child-Langmuir law
- A literature survey of low-rank tensor approximation techniques
- Computing Expectation Values for Molecular Quantum Dynamics
- Finite dimensional approximations for the electronic ground state solution of a molecular system
- An error analysis of the multi-configuration time-dependent Hartree method of quantum dynamics
- The geometry of algorithms using hierarchical tensors
- The variational method for density states a geometrical approach
- Variational approximations using Gaussian ansatz, false instability, and its remedy in nonlinear Schrödinger lattices
- Numerical tensor calculus
- Variational Embedding for Quantum Many‐Body Problems
- One particle equations for many particle quantum systems: the MCTHDF method
- Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics
- Systematics of approximations constructed from dynamical variational principles
- Separation of scales: dynamical approximations for composite quantum systems*
- Various variational approximations of quantum dynamics
- Tsallis based variational method for finding approximate wave functions
- Quantitative measurement of variational approximations
- Low-rank tensor methods for partial differential equations
- A Predictor-Corrector Strategy for Adaptivity in Dynamical Low-Rank Approximations
- Madelung transform and variational asymptotics in Born-Oppenheimer molecular dynamics
- Towards dynamical low-rank approximation for neutrino kinetic equations. I: Analysis of an idealized relaxation model
- Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations
- Residual-Based Time Discretization on Nonlinear Approximation Manifolds: Analysis and Gaussian Applications
- Nonlinear model reduction for transport-dominated problems
- Sequential-in-time training of nonlinear parametrizations for solving time-dependent partial differential equations
- A dynamical low-rank approach to the chemical master equation
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