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What is the First-Order Interacting Space?

McLean and Liu define the ith order interacting space in their paper, ``Classification of Configurations and the Determination of Interacting and Noninteracting Spaces in Configuration Interaction,'' one of the two primary papers on the subjecttex2html_wrap_inline173: ``The ith-order subspaces, of all levels of orbital occupation, contain those and only those functions which have a nonzero Hamiltonian matrix element with some member of the (i-1)th-order subspaces.'' The 0-th order subspace consists of our Hartree-Fock reference(s), and the first order interacting space consists of all N-electron basis functions which have nonzero matrix elements with one or more of the references.



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Sun Aug 17 15:24:29 EDT 1997