Browsing by Author "E.A.Kotomin"

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Browsing by Author "E.A.Kotomin"

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  • A.F. Vassilyeva; R.I.Eglitis; E.A.Kotomin; A.K.Dauletbekova (2012-09-21)
    We resenttheresultsofcalculationsofsurfacerelaxations,rumplings,andchargedistributionforthe MgF2 (0 01)and(011)surfacesusing ab initio code Crystal-2003andthehybridexchange-correlation B3PW functional.Thesetwoneutraland ...
  • A.F. Vassilyeva; R.I.Eglitis; E.A.Kotomin; A.K.Dauletbekova (2012-12-07)
    We presenttheresultsofcalculationsofsurfacerelaxations,rumplings,andchargedistributionforthe MgF2 (0 01)and(011)surfacesusing ab initio code Crystal-2003andthehybridexchange-correlation B3PW functional.Thesetwoneutrala ...