A Linear Time-Delay Scheme to Propagate Reduced Electron Density
Matrices
A Linear Time-Delay Scheme to Propagate Reduced Electron Density
Matrices
For any linear system where the unreduced dynamics are governed by unitary propagators, we derive a closed, time-delayed, linear system for a reduced-dimensional quantity of interest. We apply this method to understand the memory-dependence of reduced $1$-electron density matrices in time-dependent configuration interaction (TDCI), a scheme to solve for the …