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PLATO (computational chemistry)
PLATO (Package for Linear-combination of ATomic Orbitals) is a suite of programs designed and written by Andrew Horsfield and Steven Kenny. Capabilities of the program include a tight-binding algorithm, and a self-consistent field method using either a local density approximation or generalized gradient approximation functionals. The program was specifically developed for application to systems with periodic boundary conditions (crystals), however it is also possible to treat isolated molecules. PLATO was written with speed of calculation as a priority, and uses numerical basis sets and tables of pre-computed one- and two-centered overlap integrals.
|This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "PLATO_(computational_chemistry)". A list of authors is available in Wikipedia.|