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1. Introduction Click to copy section linkSection link copied! Symmetry breaking is ubiquitous in electronic self-consistent field (SCF) approximations. (1−5) The true wave function of an isolated molecule conserves all physical symmetries of the Hamiltonian, including particle number, complex conjugation, the Ŝ2 and Ŝz spin quantum numbers S and MS, and the spatial point group symmetry.
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