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At D-BSSE, experimental and computational biologists and bio-engineers work together on the understanding, rational design and programming of complex ... |
In quantum chemistry, calculations using finite basis sets are susceptible to basis set superposition error (BSSE). As the atoms of interacting molecules ... |
Small basis sets stabilize the complex more than the separate components due to the basis set superposition error (BSSE). The latter is due to the fact that the ... |
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The BSSE is determined as the bonding energies of a pseudo-molecule d composed of (1) a plus a ghost b and (2) b plus a ghost a. |
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This leads to an overestimate of the binding energy called the basis set superposition error. The effects of this can be corrected for by performing the ... |
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