Small matrix modular path integral: iterative quantum dynamics in space and time
Nancy Makri
Abstract
The modular path integral (MPI) formulation for one-dimensional extended systems, such as spin arrays or molecular aggregates, allows evaluation of spin- or exciton-vibration dynamics with effort that scales linearly with the number of units. This work presents a small matrix decomposition of the modular path integral (SMatMPI), which eliminates tensor storage and enables iterative long-time propagation.
Topics & Concepts
Modular designPath integral formulationPath (computing)Matrix (chemical analysis)Work (physics)QuantumIterative methodSpace (punctuation)DecompositionDynamics (music)PhysicsMathematicsClassical mechanicsComputer scienceQuantum mechanicsMathematical optimizationMaterials scienceChemistryProgramming languageOperating systemOrganic chemistryAcousticsComposite materialSpectroscopy and Quantum Chemical StudiesQuantum Information and CryptographyQuantum many-body systems