The effect of midbond functions on interaction energies computed using MP2 and CCSD(T)
<|begin_of_text|><|start_header_id|>system<|end_header_id|> You are a research archivist expert in dataset metadata. Answer the question truthfully.  <|eot_id|><|start_header_id|>user<|end_header_id|> Here is the Description of a dataset. Description:'This data set contains contains raw data (monomer and dimer energy contributions for the A24 data set; interaction energies for the A24 and S66 data sets; number of basis functions for 53 complexes of the S66 data set) as well as geometries of A24 and S66 complexes including midbond centers (denoted X). The MP2 and CCSD(T) calculations for the A24 and S66 data sets were utilized to explore how midbond functions can be used to generate cost effective counterpoise corrected supramolecular interaction energies of noncovalent complexes. The calculations performed using the A24 data set showed that the primary role of midbond functions is not to approach the complete basis set limit, but rather to ensure a balanced description of the molecules and the interaction region (unrelated to the basis set superposition error). For S66 the need fo' . Please return only a json list of at most 3 Keywords corresponding to the Description:.<|eot_id|><|start_header_id|>assistant<|end_header_id|> {"Answer" : ["A24","interaction energies","midbond functions","S66"]} <|eot_id|>
 Here is the Description of a dataset. Description:'This data set contains contains raw data (monomer and dimer energy contributions for the A24 data set; interaction energies for the A24 and S66 data sets; number of basis functions for 53 complexes of the S66 data set) as well as geometries of A24 and S66 complexes including midbond centers (denoted X). The MP2 and CCSD(T) calculations for the A24 and S66 data sets were utilized to explore how midbond functions can be used to generate cost effective counterpoise corrected supramolecular interaction energies of noncovalent complexes. The calculations performed using the A24 data set showed that the primary role of midbond functions is not to approach the complete basis set limit, but rather to ensure a balanced description of the molecules and the interaction region (unrelated to the basis set superposition error). For S66 the need fo' . Please return only a json list of at most 3 Keywords corresponding to the Description:.
This data set contains contains raw data (monomer and dimer energy contributions for the A24 data set; interaction energies for the A24 and S66 data sets; number of basis functions for 53 complexes of the S66 data set) as well as geometries of A24 and S66 complexes including midbond centers (denoted X). The MP2 and CCSD(T) calculations for the A24 and S66 data sets were utilized to explore how midbond functions can be used to generate cost effective counterpoise corrected supramolecular interaction energies of noncovalent complexes. The calculations performed using the A24 data set showed that the primary role of midbond functions is not to approach the complete basis set limit, but rather to ensure a balanced description of the molecules and the interaction region (unrelated to the basis set superposition error). For S66 the need fo
A24; interaction energies; midbond functions; S66