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Quantum Chemistry > B3LYP
The following information is about B3LYP.
B3LYP Defined
DFT using Becke exchange functional and Lee-Yang-Parr correlation functional, as well as Hartree-Fock exchange. A hybrid method; the parameters were optimized for thermochemistry, but using a different functional and numerical (basis set-free) code (7,8). Very popular.
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