Approximate equivalence table between Pople's basis sets and Jensen's DFT optimized polarization consistent basis sets (pcseg-n)
Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
Since MKL is not optimized for AMD hardware, should I use a math library specific to AMD, or would an open-source one be just as good?
What significant matter modelling methods are implemented in commercial software, for which there is no freeware alternative?
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