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Such "cat states" have found many homes, promising more sensitive quantum measurements and acting as the basis for quantum error-correcting codes—a.
Dec 18, 2013. Applying the counterpoise correction increases the imbalance by reducing the already smaller basis set error of the monomer even further.
Basis set superposition error In quantum chemistry. those orbitals have no greater intrinsic freedom and therefore the correction treats all fragments.
Counterpoise Correction and Basis Set Superposition Error C. David Sherrill School of Chemistry and Biochemistry Georgia Institute of Technology Created on 21 July 2010
What is the simplest way to calculate Basis Set Superposition Error (BSSE)?. Can anybody give me a reference where I can read about this correction? Maybe.
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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 calculations.
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Explicitly correlated coupled cluster benchmarks with realistic-sized ligands for some late-transition metal reactions: basis sets convergence and performance of more.
What is counterpoise correction. A counterpoise correction is an a posteriori correction that may be applied to correct for the basis set superposition error.
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Correcting for Basis Set Superposition Error in Aggregates. – Molecules: Ambiguities in the Calculation of the Counterpoise Correction. The counterpoise correction (CP) for the basis set superposition error (BSSE) for.
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