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Calculation of moleculs energy using Hartree-Fock-Rutan method

Author: rezo kobaidze
Annotation:

It is possible to calculate molecules energy using Hartree-Fock-Rutan method . This method is based on Hartree-Fock equatations and molecular orbitals method. Gauss type functions are used for simplificatin calculations and modeling real atomic orbials .Molecular orbitals are than constructed using modeled atomic orbitals and are used in Hartree-Fock-Rutan method cacluations for molecular energy.



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