#
NUMERICAL SOLUTION

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Lots of ways to solve Schroedinger's equation, divided broadly into
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- so-called ``abinitio'' methods where the Schroedinger equation is solved
with some ``good'' approximations, [ABINIT]
- ``tightbinding'' methods where the Schroedinger equation is solved in a
tightbinding approximation, [OXON][PLATO]
- classical potential methods, where interatomic potentials are deduced from
experiment and ``abinitio'' results, [Technion codes]. Many people (usually engineers or experimental physicists) claim that
``Classical potentials are a waste of time''. NOT TRUE, the
only real problem with their use is that you can't get band gaps
out of them.

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To include dynamics must also solve
equations of motion. This can be done in combination with any method of solving
the Schroedinger equation, with ``abinitio'' its called Car-Parinello Molecular
Dynamics. Also use static algorithms like Metropolis/Simulated Annealing,
Simulated Tempering and Conjugate Gradient.