An efficient second-order MC SCF method for long configuration expansions
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- 21 December 2001
- journal article
- Published by Elsevier
- Vol. 115 (3) , 259-267
- https://doi.org/10.1016/0009-2614(85)80025-7
Abstract
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This publication has 23 references indexed in Scilit:
- A new determinant-based full configuration interaction methodChemical Physics Letters, 1984
- MC SCF optimization using the direct, restricted step, second-order norm-extended optimization methodChemical Physics Letters, 1984
- A new direct CI method for large CI expansions in a small orbital spaceChemical Physics Letters, 1984
- Guaranteed convergence in ground state multiconfigurational self-consistent field calculationsThe Journal of Chemical Physics, 1983
- Comparison of the convergence characteristics of some iterative wave function optimization methodsThe Journal of Chemical Physics, 1982
- General second order MCSCF theory: A density matrix directed algorithmThe Journal of Chemical Physics, 1980
- A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approachChemical Physics, 1980
- MCSCF optimization through combined use of natural orbitals and the brillouin–levy–berthier theoremInternational Journal of Quantum Chemistry, 1979
- The graphical unitary group approach to the electron correlation problem. Methods and preliminary applicationsThe Journal of Chemical Physics, 1979
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matricesJournal of Computational Physics, 1975