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- CP-dynamics with Damped Dynamics:

A frequently more efficient alternative to annealing is to not scale the velocities directly but apply a friction term to reduce the forces on coefficients that already have a high velocity.
 DAMPING ELECTRONS
    30.0
 MAXSTEP
    75
Note: This use of CP-dynamics to bring the wavefunction to the ground state is actually a nice demonstration of how the CP method works: the forces on the fictitious degrees of freedom direct the electron structure towards the ground state.



Costas Bekas 2008-09-04