A variational splitting integrator for quantum molecular dynamics.
From MaRDI portal
Publication:1426331
DOI10.1016/J.APNUM.2003.09.001zbMATH Open1037.81634OpenAlexW2048830782MaRDI QIDQ1426331FDOQ1426331
Publication date: 14 March 2004
Published in: Applied Numerical Mathematics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.apnum.2003.09.001
SplittingQuantum dynamicsMulticonfiguration time-dependent Hartree (MCTDH) approachNumerical integrator
Cites Work
- Title not available (Why is that?)
- Title not available (Why is that?)
- Solving Ordinary Differential Equations I
- The behaviour of the local error in splitting methods applied to stiff problems
- On Krylov Subspace Approximations to the Matrix Exponential Operator
- Error bounds for exponential operator splittings
- A changing-chart symplectic algorithm for rigid bodies and other Hamiltonian systems on manifolds
Cited In (12)
- Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry
- Approximation of the time-dependent electronic Schrödinger equation by MCTDHF
- Title not available (Why is that?)
- Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations
- Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics
- Time-parallel multiscale/multiphysics framework
- Krylov integrators for Hamiltonian systems
- Efficient simulation of discrete stochastic reaction systems with a splitting method
- A dynamical low-rank approach to the chemical master equation
- On variational approximations in quantum molecular dynamics
- On splitting methods for Schrödinger-Poisson and cubic nonlinear Schrödinger equations
- Exponential integrators for quantum-classical molecular dynamics
Uses Software
This page was built for publication: A variational splitting integrator for quantum molecular dynamics.
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1426331)
