LIBROS DEL AUTOR: henry f schaefer

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  • Methods of Electronic Structure Theory
    Henry F. Schaefer
    These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger’s equation are sought 'from the beginning,' i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin­ guishing feature of ab initio theory is u...
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