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Atomic Physics
Codes from a course by Walter Johnson. Mod_pot.f determines the parameters in a model potential for an atom with one valence electron. Nrhf.f calculates nonrelativistic Hartree-Fock wave functions for closed-shell atoms.
http://www.nd.edu/~johnson/phys607.html
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ASAD
Package for creating and integrating chemistry schemes in atmospheric models without the need to write any Fortran code to solve the chemical rate equations. Developed by Dr. Glenn Carver and Dr. Paul Brown (assisted by Dr. Oliver Wild) of the Centre for
http://www.atm.ch.cam.ac.uk/acmsu/asad/index.html
Cam.ac.uk ~
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Vienna Ab-Initio Simulation Package (VASP)
Performs ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach implemented in VAMP/VASP is based on a finite-temperature local-density approximation (with the free energy as variational quant
http://cms.mpi.univie.ac.at/vasp/
Univie.ac.at ~
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