Quantum chemistry


Ontology type: npg:Subject  | skos:Concept     


Concept Info

NAME

Quantum chemistry

DESCRIPTION

Quantum chemistry applies quantum mechanics to the theoretical study of chemical systems. It aims, in principle, to solve the Schrödinger equation for the system under scrutiny; however, its complexity for all but the simplest of atoms or molecules requires simplifying assumptions and approximations, creating a trade-off between accuracy and computational cost.

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