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Information × Registration Number 0305U003259, 0104U000655 , R & D reports Title Influence of electron correlations effects to optical and magnetic properties of nanomaterials popup.stage_title Моделювання електричних і магнітних властивостей наноструктур Head Pedach U., Registration Date 03-03-2005 Organization Kharkov national university named after V.N. Karazin popup.description2 Goal of the investigation is development of the effective and accurate electronic models which can properly describe the electronic structure of many electron system. Different approaches based on coupled cluster method are investigated. Also our goal is analysis of structural features of the wave function which are necessary for correct description of many particle problem and investigation of energetic structure and thermodynamic of quasionedimensional and quasitwodimensional spin systems. Methods: Configuration interaction, Coupled Cluster theory, Density matrix renormalization groups method (DMRG)The energetic spectra of the nanosystems with the spin-stairs structure has been investigated. Also it was investigated one- and two- magnon exact spectra with periodic constrains.Further development of the method of many particle amplitudes spin coupling (MASC) is demonstrated effectivity at the quasi degeneracy. The automated enumeration of coupled cluster linked diagrams has been used for production ofthe equations and corresponding computer code of method with exact account arbitrary level of excitations. The test calculations are demonstrating ability of different cluster theories for investigation of chemical problems connected with degeneracy. Product Description popup.authors popup.nrat_date 2020-04-02 Close