Search Results for "schrödinger"
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Showing 15 open source projects for "schrödinger"
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WavePacket (Matlab/Octave)
Dynamics of quantum systems, controlled by external fields
WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, partly also classical or quantum-classical Liouville equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern... -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics... -
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Ultrashort Pulse Propagator
A powerful simulation for designing femtosecond lasers and amplifiers.
This is a simulation package developed for numerical simulation of ultrashort pulse propagation in optical media and pulse generation from mode-locked lasers. Although the code is primarily intended for investigations of fiber links, fiber amplifiers and fiber lasers, it can be applied to any other setting for which the governing equiations are valid. The physics included in the code is based on a generalized nonlinear Schrödinger equation, including higher order dispersion, stimulated Raman... -
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WaveTrain (Python)
Quantum dynamics of chain-like systems using tensor train formats
..., as well as solvers for eigenvalue problems and linear differential equations in the TT format. WaveTrain comprises solvers for time-independent and time-dependent Schrödinger equations employing TT decompositions to construct low-rank representations. Often, the TT ranks of state vectors are found to depend only marginally on the chain length N, which results in the computational effort growing only slightly more than linearly in N, thus mitigating the curse of dimensionality. -
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5
Hex
Hydrogen-Electron Collisions
A computer code for simulation of electron-hydrogen scattering. Contains three (more or less) finished sub-programs: (a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis, (b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally (c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract derived... -
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Nonlinear Schrödinger equation (NSE) is a fundamental equation in nonlinear optics that describes the propagation of a pulse through a dispersive and nonlinear medium. Nonlinear Pulse Propagation Solver (NPP) is a program, written in C/C++, that solves NSE in an arbitrary waveguide. It has a user friendly interface, which allows a user to enter the pulse and waveguide parameters and execute simulations. The program can be invoked within MATLAB and any other scripting language. It can export...
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RAtom
solves nonlinear Kohn-Sham equation for the neutral atom.
... libraries. The program is implemented in C++, it runs as a single thread. The implemented algorithm is described in the following papers: 1. Z. Romanowski, "Adaptive solver of a Kohn-Sham equation for an atom", Modelling Simul. Mater. Sci. Eng. vol. 17, 045001 (2009) 2. Z. Romanowski, "Application of h-adaptive, high order finite element method to solve radial Schrödinger equation", Molecular Physics, vol. 107, pp. 1339-1348 (2009). Further questions: romz@wp.pl -
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RSchr-5
Solves one-electron Schrödinger equation, with SLEPc and PETSc
RSchr-5 calculates the smallest eigenvalues of the one-electron Schrödinger equation. The solved problem is defined on the finite domain, which is a box. The problem is solved with the zero Dirichlet boundary conditions. The implemented algorithm uses Finite Element Method with B-splines as basis functions. Disctretization leads to generalized eigenvalue problem. Program RSchr-5 solves the generalized eigenvalue problem by algorithms implemented in SLEPc amd PETSc libraries. It uses Krylov... -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a program package for numerical quantum-mechanics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses... -
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10
finiteDiff
Program for solving the Schrödinger equation
This little set of programs compute the solutions to one and three dimensional Schrödinger equations with different potentials. Explicit, implicit and eigenvalue methods are included. The explicit and implicit method are provided in C++ whereas the matrix method is implemented as a MATLAB scipt. All these method use finite differences. -
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MPQC
Massively Parallel Quantum Chemistry program
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. -
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dftatom
A Schrödinger and Dirac solver for atomic structure calculations
Code repository: https://github.com/certik/dftatom -
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PAMELA Schrodinger-Poisson Code
self-consistent schrodinger-poisson code for core-shell nanowires
PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations) is a self-contained suite of MATLAB codes that can calculate electronic energies, densities, wavefunctions, and band-bending diagrams within a self-consistent Schrödinger-Poisson formalism. -
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LaserFoam performs simulations of laser pulses using an adaptive split step Fourier method to solve the generalized nonlinear Schrödinger equation. It provides a graphical environment to run and visualize the results.
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