Abstract
We use the natural orbitals to define an independent particle system, from which the exact one-particle density matrix can be obtained with an ensemble of degenerate determinantal ground states. Also defining explicit phases for the orbitals, and admitting functionals that are dependent on those phases, time-dependent equations for the orbitals and occupation numbers are obtained from an action principle. The wrong polarizability and lack of double excitations of straightforward adiabatic time-dependent density matrix functional theory are then corrected, and the important symmetry χ(ω)=χ
Original language | English |
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Article number | 013002 |
Number of pages | 4 |
Journal | Physical Review Letters |
Volume | 105 |
Issue number | 1 |
DOIs | |
Publication status | Published - 2010 |