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양희룡,최승평,장차익 조선대학교 기초과학연구소 1997 自然科學硏究 Vol.20 No.1
The one-electron theory of atoms, molecules, and crystals has enjoyed a wide success in many branches of physics. This theory provides a physically appealing description of the eletronic structure of many-electron systems. In addition, this theory provides a convenient basis for performing the detailed calculations on specific many-electron systems. In such calculations, it is usually necessary to introduce many simplifying assumptions in order to make a progress. Since the principal computational difficulty posed by the Hartree-Fock equations is the treatment of the exchange terms, it would be very desirable to simplify the treatment of these terms by using Slater's the average of the exchange potential. The first order correction of the energy in the ground state of He atom is calculated by using the unperturbed wave function obtained with the Hartree-Fock-Slater approximation and compared with the result obtained by the simple analytical metod. The numerical result agrees with an experimental result for the ground state of the He atom with tolerance 0.65%.
최숙경,양희룡,장차익 朝鮮大學校 自然科學硏究所 1995 自然科學硏究 Vol.18 No.1
The Scattering cross section is the physical quantity which is susceptible of a reasonably direct experimental measurement and which at the same time lends itself readily to calculation, and this which establish contact between scattering theory and scattering experiment to assist each other. We have calculated scattering cross sections for targets consisting of He, Ne, Ar in ground state and He in metastable state, that is, ^(3)S_(1)i. In our study we have calculated elastic scattering cross sections for low energy electrions (E < 10 eV). The atomic potential used to represent the interaction of the atom in our calculations is the same one that is replaced atom by the potential used by Robinson and Geltman in the evaluation of photodetachment cross sections. We have shown that the total scattering cross sections of He, Ne and Ar decrease with the increase of the electron energy. We used the Numerov method for numerical integration of our differential equations. This method appears to be most efficient numerical integration scheme available for second-order differential equations with the first derivative absent.