Molecular Physics

Advances in Density Functional Theory: 33 (Advances in by Per-Olov Lowdin,Jorge M. Seminario

By Per-Olov Lowdin,Jorge M. Seminario

Quantum mechanics can describe the unique constitution and behaviour of topic, from electrons, atoms, and molecules, to the entire universe. it truly is one of many fields of information that yield remarkable precessions, constrained basically via the computational assets on hand. between those tools is density practical concept (DFT), which allows one to resolve the equations of quantum mechanics extra successfully than with any comparable method.
The current quantity represents the main finished precis at the moment to be had in density sensible conception and its functions in chemistry from atomic physics to molecular dynamics. DFT is at present getting used by means of greater than fifty percentage of computational chemists.

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