TY - JOUR
T1 - Resonating Hartree-Fock approach for electrons confined in two dimentional square quantum dots
AU - Okunishi, Takuma
AU - Negishi, Yuki
AU - Muraguchi, Masakazu
AU - Takeda, Kyozaburo
PY - 2009/12/1
Y1 - 2009/12/1
N2 - We studied the applicability of the resonating unrestricted Hartree-Fock (res-UHF) approach for configuration interaction (CI) by considering the electronic structure of two electrons confined in a two-dimensional (2D) square quantum dot (SQD). The UHF solutions for the SQD are nonorthogonal mutually but are appropriate for the basis functions for the res-UHF CI calculation because they represent the conceivable electron-spin configurations rationally. Consequently, the res-UHF CI using these UHF non-orthogonal solutions has an advantage for narrowing down the number of employed Slater determinants, although at the expense of the orthogonality among the Slater bases.
AB - We studied the applicability of the resonating unrestricted Hartree-Fock (res-UHF) approach for configuration interaction (CI) by considering the electronic structure of two electrons confined in a two-dimensional (2D) square quantum dot (SQD). The UHF solutions for the SQD are nonorthogonal mutually but are appropriate for the basis functions for the res-UHF CI calculation because they represent the conceivable electron-spin configurations rationally. Consequently, the res-UHF CI using these UHF non-orthogonal solutions has an advantage for narrowing down the number of employed Slater determinants, although at the expense of the orthogonality among the Slater bases.
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U2 - 10.1143/JJAP.48.125002
DO - 10.1143/JJAP.48.125002
M3 - Article
AN - SCOPUS:75149130396
SN - 0021-4922
VL - 48
JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
IS - 12
M1 - 125002
ER -