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Showing 1 to 2 of 2 for “"force constant matrix"”.
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Coarse-graining electronic behavior in condensed matter systems : from electrons to continuum elasticity
… scales on the order of the decay length of the force constant matrix; allowing for straightforward development of new relations between the bending and stretching properties of nanomechanical resonators, which prove to be much more accurate than the continuum-based relations currently employed …
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First principles and machine learning methods in molecules, fluids, and solids
… used to study molecules where the formalism for force constants matrix is created for the first time using variational and diffusion Monte Carlo, which are the most accurate technique in electronic structure calculation but more resource demanding. We make the atomic relaxation and vibrational …