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A time-dependent semiclassical approach for vibrational spectra calculations is shown to describe deep tunneling splittings, resonances, and quantum frequencies in multidimensional multiwell systems, by propagating a very limited number of classical trajectories.
The accuracy of the calculations is shown to exhibit the expected exponential convergence with increasing polynomial order of the Legendre polynomials in each spectral element.
The range of changes of the damping coefficient and the influence of some parameters of the system on its value based on numerical calculations is shown.
The required electrical power calculations is shown in Table 6.
A breakdown of the calculations is shown in Table 3.
The procedure used in model calculations is shown in the flowchart of Fig. 2.
Similar(41)
The calculations are shown in Exhibit VIII.
The calculations are shown in Table 8.2.
Some illustrative calculations are shown.
Application of the European Standards and results of calculations are shown.
The radial distribution functions (RDFs) of CO molecules in sII clathrate from MD calculations are shown in Fig. 5.
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