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What is the primary purpose of the counterpoise correction in molecular calculations?
What is the primary purpose of the counterpoise correction in molecular calculations?
What is the typical magnitude of the basis set superposition error (BSSE) in molecular calculations?
What is the typical magnitude of the basis set superposition error (BSSE) in molecular calculations?
In the counterpoise corrected interaction energy, what is the role of the nuclei of the 'other' monomer?
In the counterpoise corrected interaction energy, what is the role of the nuclei of the 'other' monomer?
What is the purpose of including the basis set of the 'other' monomer in the calculation of the monomer energy?
What is the purpose of including the basis set of the 'other' monomer in the calculation of the monomer energy?
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What type of molecular systems are most affected by the basis set superposition error?
What type of molecular systems are most affected by the basis set superposition error?
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What is the Hartree Fock method also known as?
What is the Hartree Fock method also known as?
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What is the LCAO approximation an example of in the Hartree Fock method?
What is the LCAO approximation an example of in the Hartree Fock method?
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What is the purpose of the counterpoise approach (CP) in calculating the basis set superposition error (BSSE)?
What is the purpose of the counterpoise approach (CP) in calculating the basis set superposition error (BSSE)?
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What is the result of the overlap of basis functions when the atoms of interacting molecules approach one another?
What is the result of the overlap of basis functions when the atoms of interacting molecules approach one another?
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What is the effect of basis set superposition error (BSSE) on the calculation of interaction energies?
What is the effect of basis set superposition error (BSSE) on the calculation of interaction energies?
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