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Molecular Electronic-Structure Theory
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent …
Molecular Electronic-Structure Theory
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent …
Density-Functional Theory
Density-functional theory (DFT) is a computational modelling tool used to describe molecules and materials. Different functions are used to determine the properties of electrons …
Molecular Electronic-Structure Theory
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent …