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Spin-Free quantum chemistry. XXII. Multiconfiguration self-consistent field theory |
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| Authors: | F. A. Matsen C. J. Nelin |
| Abstract: | Second order MCSCF theory is presented in a unitary group formulation for any multiplicity without spin projection. Its reduction to lower order theory is discussed, as well as its extension through the use of effective Hamiltonians. |
| Keywords: | |