TDDMPropagation

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TDDMPropagation

Section Time-Dependent
Type integer
Default no_propagation

Decides whether to propagate the density matrix, in the spectral basis, together with the KS orbitals. The resulting time-depented orbilas are to be considered the natural orbitals of the denstiy matrix and with the corresponding eigenvalues the occupation numbers. In order to work properly this method requires an number of empty states specified with the option "ExtraStates". This is an experimental feature.

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