Dr_bitz
  • Member for 10 years, 2 months
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What is counterpoise correction?
10 votes

A counterpoise correction is an a posteriori correction that may be applied to correct for the basis set superposition error (BSSE). More specifically, it uses mixed basis sets with "Ghost orbitals". ...

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Where can I find a database of simple chemical structures in XYZ format?
4 votes

This site has some nice enough data: http://cccbdb.nist.gov/

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