Ab initio quantum chemistry method
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Term information
definition
Ab initio quantum chemistry methods are computational chemistry methods based on quantum chemistry.[1] The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.[2][3] The background is described by Parr.[4] In its modern meaning ('from first principles of quantum mechanics') the term was used by Chen[5] (when quoting an unpublished 1955 MIT report by Allen and Nesbet), by Roothaan[6] and, in the title of an article, by Allen and Karo,[7] who also clearly define it. source: http://en.wikipedia.org/wiki/Ab_initio_quantum_chemistry_methods