Abstract
Using the equations of motion for the occupation numbers of natural spin orbitals we show that adiabatic extensions of common functionals employed in ground-state reduced-densitymatrix-functional theory have the shortcoming of leading to occupation numbers independent of time. We illustrate the exact time-dependence of the natural spin orbitals and occupation numbers for two strongly nonlinear cases, namely electron-ion scattering and atoms in strong laser fields. In the latter case, we observe strong variations of the occupation numbers in time.
Original language | English |
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Article number | 23001 |
Journal | Lettere Al Nuovo Cimento |
Volume | 92 |
Issue number | 2 |
DOIs | |
State | Published - Oct 2010 |
Externally published | Yes |