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This document discusses several quantum chemical methods for modeling biomolecular systems including ab initio methods, density functional theory, and semi-empirical methods. Ab initio methods such as Hartree-Fock, configuration interaction, and coupled cluster are introduced. Density functional theory has become widely used for modeling biomolecules due to improved functionals and increased computational power allowing systems of hundreds of atoms. Semi-empirical methods are also briefly covered.

Author

nadeem akhtar

Language

EN