First three natural potentials for the potential given in Eq. (2). Solid line, ; dashed line, ; and dotted line, . The natural potentials are similar to plane waves, but not identical to them, because of the screening of the Coulomb potential [Eq. (2)].
Difference between the approximate and the exact potential as a function of the natural potential expansion size .
Lowest energy obtained by imaginary time propagation for different numbers of spatial orbitals K, using time-dependent CASSCF (6,K). The full-CI limit is almost reached as soon as sixfold excitations are accounted for. The fact that the curve does not flatten already for smaller shows that we are dealing with a highly correlated system.
Energy expectation values for different initial conditions of the propagation in imaginary time. Thick line, lowest energy initial determinant; others, initially excited determinants, see text.
Relaxing electron density in the (6,6) case, in .
Natural Populations for the (6,7) case. Always two lines lie exactly on top of each other, because we use the restricted formalism. The energy is much better converged than the lowest final value of about 0.12 indicates.
The energy expectation value as a function of the size of the natural potential expansion. Compared to Fig. 2, the convergence is much faster.
Absorption spectra of the jellium system for different sizes of the active space.
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