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Current research into semiconductor clusters is focused on the properties of quantum dots—fragments of semiconductor consisting of hundreds to many thousands of atoms—with the bulk bonding geometry and with surface s...

An unsorted database contains N records, of which just one satisfies a particular property. The problem is to identify that one record. Any classical algorithm, deterministic or probabilistic, will clearly take O (N) ste...

Materias / palabras clave: Ab initio; Hamiltonian (control theory); Basis set; Plane wave; Statistical physics; Ab initio quantum chemistry methods; Density functional theory; Electronic structure; Phonon; Degrees of freedom (physics and chemistry...