Variational principle for localized Hartree-Fock orbitals
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- 1.O. Chalvet, R. Daudel, S. Diner, J.-P. Malrieu (editors), Localization and Delocalization in Quantum Chemistry [Russian translation], Mir, Moscow (1978).Google Scholar
- 2.I. I. Ukrainskii, “New variational function in the theory of quasi one-dimensional metals,” Teor. Mat. Fiz., 32, No. 3, 392–400 (1977).Google Scholar
- 3.P. Millie, B. Levy, and J. Berthier, “Localization and relocalization in orbital theories,” in: Localization and Delocalization in Quantum Chemistry [Russian translation], Mir, Moscow (1978), pp. 74–119.Google Scholar
- 4.C. Edmiston and K. Ruedenberg, “Localized atomic and molecular orbitals,” Rev. Mod. Phys., 35, No. 3, 457–465 (1963).Google Scholar
- 5.M. Levy, T.-S. Nee, and R. G. Parr, “Method for direct determination of localized orbitals,” J. Chem. Phys., 63, No. 1, 316–318 (1975).Google Scholar
- 6.V. A. Kuprievich and V. E. Klimenko, “Computational scheme for optimization of multi-configuration wavefunctions,” Teor. Éksp. Khim., 12, No. 2, 169–177 (1976).Google Scholar
- 7.V. A. Kuprievich and V. E. Klimenko, “Application of the one-electron Hamiltonian method in the SCF theory for states with open shells,” Teor. Éksp. Khim., 14, No. 4, 509–513 (1978).Google Scholar
- 8.V. A. Kuprievich and V. E. Klimenko, “Modified one-electron Hamiltonian method in MC SCF theory,” Teor. Éksp. Khim., 13, No. 2, 212–216 (1977).Google Scholar
- 9.V. A. Kuprievich, “Localization of excitations in the pyrimidine bases of nucleic acids,” Stud. Biophys., 58, No. 3, 193–201 (1976).Google Scholar
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