Search Results for "open-shell"

Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances).

This software accompanies the textbook "Quantum Wells, Wires and Dots" (4th Edition), Paul Harrison and Alex Valavanis, Wiley, Chichester (2015). It is adapted (by the same authors) from code that was originally supplied on a CD with the first edition of the book [1] and is now made available under the GPL3 license. In brief, we encourage everyone to use the software in your studies and research, to study and modify the source-code and to share it widely. However, you are not permitted to...

Repository moving to https://github.com/cmendl/fermifab ! A quantum physics toolbox for small fermionic systems. Keywords: quantum mechanics, reduced density matrices, Slater determinants, second quantization, creation and annihilation operators

Lattice QCD kernel library optimized for Blue Gene/Q supercomputer.

A C/C++ library for Cavity Quantum Electrodynamics Simulations. CQEDSimulator is a framework that provides all basic mathematical elements and methods to perform quantum numerical simulations. It's crossplatform, that works on Windows, Linux, Mac...