Kinetic energy of electrons and potential energy of atoms with open electron shell in the basis of Slater functions
In this work, using the Hartree-Fock-Roothaan (HFR) method, the kinetic energy of electrons and the potential energy of a nitrogen atom with an open electron shell in the basis of Slater functions are calculated. An analytical expression is also obtained for the kinetic and potential energy of a nitrogen atom with an open electron shell. Using the method of addition of the projection of moments, twenty independent determinant wave functions corresponding to the electronic configuration of the nitrogen atom are determined. For reliability, the results are verified using the virial theorem and the expression
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Keywords
электронная конфигурация, кинетическая и потенциальная энергия, слейтеровские атомные орбитали, детерминантная волновая функция, electronic configuration, kinetic and potential energy, Slater atomic orbitals, determinant wave functionAuthors
| Name | Organization | |
| Bairamova D.B. | Baku State University | dilberferid@gmail.com |
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