WavePacket: a Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations
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quantum dynamicsbound statesdiscrete variable representationnonadiabatic transitionsnumerical propagationSchrödinger equation
Packaged methods for numerical algorithms (65Y15) Time-dependent Schrödinger equations and Dirac equations (35Q41) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Software, source code, etc. for problems pertaining to quantum theory (81-04)
Abstract: WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schr"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry.The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry.The present Part I deals with the description of closed quantum systems in terms of Schr"odinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization.The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics.The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.
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Cites work
- scientific article; zbMATH DE number 5279176 (Why is no real title available?)
- scientific article; zbMATH DE number 1194100 (Why is no real title available?)
- scientific article; zbMATH DE number 1866308 (Why is no real title available?)
- scientific article; zbMATH DE number 6313119 (Why is no real title available?)
- A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
- A comparison of different propagation schemes for the time dependent Schrödinger equation
- A time-dependent Born-Oppenheimer approximation with exponentially small error estimates.
- Beyond Born–Oppenheimer
- Coherent and incoherent states of the radiation field
- On the relation between cavity-dressed states, Floquet states, RWA and semiclassical models
- Solution of the Schrödinger equation by a spectral method
- The Chebyshev propagator for quantum systems
- The time-dependent Born-Oppenheimer approximation
- Wigner measures and codimension two crossings
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- FeynDyn: a MATLAB program for fast numerical Feynman integral calculations for open quantum system dynamics on GPUs
- Program for quantum wave-packet dynamics with time-dependent potentials (new version announcement)
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- WATERWAVES: wave particles dynamics on a complex triatomic potential
- QTRAJ 1.0: a Lindblad equation solver for heavy-quarkonium dynamics
- MCEND: an open-source program for quantum electron-nuclear dynamics
- Introduction to time-dependent quantum mechanics with Python
- Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
- scientific article; zbMATH DE number 2087977 (Why is no real title available?)
- Matlab package for the Schrödinger equation
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