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Showing 1 to 2 of 2 for “"density matrix calculations"”.
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Experimental Correlation and Self Consistent Analysis of an Infrared, Fir, Mw Triple Resonant System in Amonnia
… the IR, FIR, and MW were studied by means of density matrix. The FIR and MW frequencies calculated from the self consistent analysis have been verified by the experiments. The measurements for the MW pressure dependence were justified by the density matrix calculations.
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Development of large scale tight-binding methods, and application to electron transfer in symmetric dielectric barrier discharges (DBDS)
… structure theory. In tight-binding and density functional theory, the most expensive part of the computation is obtaining the density matrix, which traditionally scales cubically with the number of atoms. Tight-binding is a semi-empirical electronic structure method that is the least …