Basis set optimization script that works with Pcrystal09
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Updated
Aug 26, 2013 - Python
Basis set optimization script that works with Pcrystal09
A wrapper class being developed to streamline the use of the Turbomole software package on in supercomputing environments
High performance simulation of the thermal equilibrium of hard-core bosons on a 2D crystal lattice
A Python module built for rapid computational screening of catalysts on rigid structures.
visualization for Penetration of Potential Barriers.
# Variational approach: Coherent states. This code allows to make time dependent variational calculation in the class of coherent states.
Numerical implementation of diagrammatic scattering theory for few-photon transport through Bose-Hubbard lattices
A simulator of various hydrogen electron shells
Funciones para la evaluación energética y gráficas de los diferentes casos que se estudian en Química Cuántica
Une simulation de l'évolution d'un paquet d'onde gaussien
Python framework to symbolically compute Quantum Langevin equations using Sympy
Autobuild script for QE-Docset.
Python package to calculate the transmission properties of one-dimensional kronig-penney-systems
Python package to convert between asymptotic wavenumbers and energies for multichannel, inelastic collisions.
Calculates solutions to the two channel radial well as described in Newton's "Scattering Theory of Waves and Particles".
Solve the Schrodinger equation for a variety of 1D and 2D potentials.
Simulator of the propagation of a wavepacket according to Schrodinger equation.
Quantum Tensor Networks and Matrix Product States implemented in Python.
Python reference implementation of the Newton propagator for quantum dynamics
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