Abstract
The multiconfiguration self-consistent-field (MCSCF) theory will be presented, discussing in particular (a) the advantages, necessity, and limitations of the method; (b) the merits of the various different procedures for the solution of the MCSCF orbital equations, and (c) some considerations useful for the configuration selection in an MCSCF calculation. A scheme for large scale configuration interaction (CI) calculations based on a general multiconfigurational reference function will be emphasized. The progress made and experiences gained in the development of a numerical SCF procedure for general molecules will be described, giving an outlook towards promise and future extensions of this procedure.
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