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Information × Registration Number 0200U004543, 0197U008901 , R & D reports Title Real crystal materials under the conditions of superhigh pressure and extra fields: spectra, properties, transitions. popup.stage_title Head Zarochentsev Yevgen Vasyl'jovych, Registration Date 10-08-2000 Organization A.A. Galkin Physics and Engineering Institute of National Academy of Science of the Ukraine popup.description2 The project is devoted to development of the theory and to the calculation of band structure and properties of a crystal, which are applicable at high compressions. Microscopic аpproach is worked out to calculate bound states and total energy of an insulator on the base of Hartree-Fock approximation in the basis of atomic orbitals which are accurately orthogonalized on a different sites of a crystal.Band structure of crystalline neon is calculated without using of fitting parameters ina wide range of pressure. The characteristics of pressure induced insulator-metal transition are evaluated. Product Description popup.authors popup.nrat_date 2020-04-03 Close