Hello fellow physicist,(adsbygoogle = window.adsbygoogle || []).push({});

I'm new on this subject, I hope that you can help me clear some stuff out.

If I have 2 basis sets; A containing 100 basis functions and B containing 50 basis functions, for which one of them will a DFT calculation be faster?

Also, is a DFT calculation using basis sets A, more accurate than if it uses B?

Very thankful,

Best regards

AJ

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# I 2 basis sets, for which one is DFT calc faster?

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