Literature cited
C. C. Roothaan, “Self-consistent field theory for open shells of electronic systems,” Rev. Mod. Phys., 32, No. 1, 179–185 (1960).
S. Huzinaga, “Applicability of Roothaan's self-consistent field theory,” Phys. Rev., 120, No. 3, 866–871 (1960).
S. Huzinaga, “Analytical methods in Hartree-Fock self-consistent field theory,” Phys. Rev., 122, No. 1, 131–138 (1961).
A. A. Kiselev, “On the theory of polyelectronic systems with unoccupied layers,” Vestn. Leningrad. Univ., No. 22, 5–12 (1962).
H. Bethe, Intermediate Quantum Mechanics, W. A. Benjamin, New York (1964).
M. I. Petrashen' and E. D. Trifonov, The Application of Group Theory to Quantum Mechanics [in Russian], Nauka, Leningrad (1967).
I. G. Kaplan, The Symmetry of Polyelectronic Systems [in Russian], Nauka, Moscow (1969).
I. G. Kaplan, “The use of the methods of group theory in quantum-chemical calculations,” Usp. Khim., 48, No. 6, 1027–1053 (1979).
J. Gerratt, “General theory of spin-coupled wavefunctions for atoms and molecules,” Adv. Atom. Mol. Phys., 7, 141–221 (1971).
R. McWeeny and B. T. Sutcliffe, Methods of Molecular Quantum Mechanics, Academic Press, New York (1969).
C. D. Chisholm, Group Theoretical Techniques in Quantum Chemistry, Academic Press, NewYork (1975).
V. K. Kostrigin, V. A. Lovchikov, and R. A. Evarestov, “Calculation of the excited states of molecular systems by the restricted Hartree-Fock method,” in: Synopses of Papers presented at the Seventh All-Union Congress on Quantum Chemistry, Novosibirsk, 1978 [in Russian], Novosibirsk 1978, p. 116.
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 18, No. 5, pp. 515–520, September–October, 1982.
The author thanks V. K. Kostrigin for his participation in the work and for calculating the coefficients in Tables 1 and 2.
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Évarestov, R.A. Electronic energy for molecular systems with open shells in the restricted Hartree-Fock method. Theor Exp Chem 18, 465–470 (1983). https://doi.org/10.1007/BF00516881
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DOI: https://doi.org/10.1007/BF00516881