Abstract
In solid state physics calculations are called “ab-initio” or “first-principles” if they use as input only such data as the atomic number and weights of the elements making up the crystal, and fundamental physical constants such as the mass and charge of the electron and Planck’s constant. A decade ago such calculations were impossible due to the computer limitations at that time. Nowadays such calculations have become a basic tool in solid state physics. At this time these calculations are restricted to mechanical, electronic and dielectric properties of crystals and crystalline surfaces at zero temperature.
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Van Camp, P.E., Van Doren, V.E., Devreese, J.T. (1990). Large Scale Computations in Solid State Physics. In: Devreese, J.T., Van Camp, P.E. (eds) Scientific Computing on Supercomputers II. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0659-7_4
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DOI: https://doi.org/10.1007/978-1-4613-0659-7_4
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