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THE GAUSSIAN FUNCTION EXPANSION METHOD OF ATOMIC SELF-CONSISTENT-FIELD COMPUTATIONS IN TWO DIMENSIONS
Zhao Yongfang, P. Pyykkö
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
1995, 12 (2):
157-163.
Self-consistent-field (SCF) method using signle electron wave functions expanded in terms of Gaussian functions is reported for atoms in two dimensions. The energy expressions are derived for closed-shell and open-shell configurations comprising, s, p, and d electrons and Hartree-Fock-Roothaan two-dimensions equation for closed-shell atoms. Finally, main results of SCF numerical computations are given and discussed.
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