Abstract
Results of an ab initio LCAO Hartree-Fock crystal orbital calculation are reported for (SN) x using a double-zeta type atomic basis set. In contrast with previous minimal basis calculations the width of the metallic half-filled band is only ∼ 4 eV in this study. The calculated effective mass (1.7 m e ), electron state density [0.14/(ev spin molecule)] and transferred charge (∼0.4 e from sulfur to nitrogen) are also in good agreement with experiment.
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