Ω-estimates in lattice point theory
نویسندگان
چکیده
منابع مشابه
Gamma-point lattice free energy estimates from O1 force calculations.
We present a new method for estimating the vibrational free energy of crystal (and molecular) structures employing only a single force calculation, for a particularly displaced configuration, in addition to the calculation of the ground state configuration. This displacement vector is the sum of the phonon eigenvectors obtained from a fast-relative to, e.g., density-functional theory (DFT)-Hess...
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ژورنال
عنوان ژورنال: Acta Arithmetica
سال: 1979
ISSN: 0065-1036,1730-6264
DOI: 10.4064/aa-35-3-247-258