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Basis set superposition error - Wikipedia
Web9 Basis set for GPW calculations ¾MOLOPT basis sets: basis sets optimised from molecular calculations, see ‘BASIS_MOLOPT’ ¾‘DZVP-MOLOPT-SR-GTH’ for solids (‘SR’ denotes shorter range, i.e. less and thus less diffuse primitives) ¾always check the basis set convergence (DZVP/TZVP/…) ¾do not use SZV for production run ¾more basis sets for … WebBasis set superposition error (BSSE) This tutorial will show you how to calculate a basis set superposition error (BSSE) using ADF for a formamide dimer. The first method uses atomic fragments, the second method uses molecular fragments. In this … rawlings radar ball instructions
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