Influence of the Complete Basis Set Approximation, Tight Weighted-Core, and Diffuse Functions on the DLPNO-CCSD(T1) Atomization Energies of Neutral H,C,O-compounds.
JOURNAL OF COMPUTATIONAL CHEMISTRY（2023）
Key words
atomization energies,basis sets,diffuse functions,DLPNO-CCSD(T1),enthalpy of formation
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