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Time-dependent local density level

Phys., 113, 7062 (2000). Charge-Transfer Correction for Improved Time-Dependent Local Density Approximation Excited-State Potential Energy Curves Analysis within the Two-Level Model with Illustration for H2 and LiH. [Pg.162]

Figure 5.2 Absorption cross section of SissHse calculated using (1) tight-binding approach with local field effects (solid thick line), (2) the tight-binding energy levels with a classical model for the surface polarization contribution (dashed line) and (3) a time-dependent local density approximation (TDLDA) within density functional theory (solid thin line). TDLDA results from ref. 39. Figure 5.2 Absorption cross section of SissHse calculated using (1) tight-binding approach with local field effects (solid thick line), (2) the tight-binding energy levels with a classical model for the surface polarization contribution (dashed line) and (3) a time-dependent local density approximation (TDLDA) within density functional theory (solid thin line). TDLDA results from ref. 39.
Finally, it is used in the analysis of contributions to a molecular property like a polarizability or NMR spin-spin coupling constant from excitations between individual, typically localized, molecular orbitals (see, e g. Hansen and Bouman (1985), Packer and Pickup (1995), Sauer and Provasi (2008) or Provasi and Sauer (2009)). This is normally done at the level of the random phase approximation or time-dependent density functional theory. [Pg.212]

If an atomic transition is optically pumped by a beam of laser radiation having the appropriate frequency, the population in the upper state can be considerably enhanced along the path of the beam. This causes an intensification of the spontaneous emission from this state, which contains information about the conditions within the pumped region, since the exponential decay time for the intensified emission depends upon both the electron number density and the electron temperature. The latter can be obtained from the intensity ratio of the fluorescence excited from two different lower levels, if local thermal equilibrium is assumed. This method has been dis-... [Pg.54]


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See also in sourсe #XX -- [ Pg.205 ]




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