Open AccessSymmetry and equivalence restrictions in electronic structure calculations
Author(s) -
Charles W. Bauschlicher,
Peter R. Taylor
Publication year - 1988
Publication title -
theoretica chimica acta
Language(s) - English
Resource type - Journals
ISSN - 0040-5744
DOI - 10.1007/bf00570553
Subject(s) - natural bond orbital , linear combination of atomic orbitals , basis set , atomic orbital , cubic harmonic , equivalence (formal languages) , symmetry (geometry) , symmetry operation , slater type orbital , degenerate energy levels , coulomb , molecular orbital theory , physics , valence bond theory , quantum mechanics , computational chemistry , chemistry , mathematics , geometry , pure mathematics , molecule , electron
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