Quantum mechanical/molecular modeling

AMI a New General Purpose Quantum Mechanical Molecular Model Michael J. S. Dewar, Eve G. Zoebisch, Eamonn E. Healey and James... 

It is traditional to divide quantum-mechanical molecular models into three broad bands depending on their degree of sophistication. There are sublevels within each band, and a great deal of jargon accompanied by acronyms. Many authors speak of the level of theory . The Hiickel independent electron model of Chapter 7 typifies the lowest level of theory, and authors sometimes refer to these models as empirical . The Hamiltonian is not rigorously defined, and neither are the basis functions. Nevertheless, these models have been able to produce impressive predictions and rationalizations. 

Dewar MJS et al. (1985) Development and use of quantum mechanical molecular models. 76. AMI a new general purpose quantum mechanical molecular model. J Am Chem Soc 107(13) 3902-3909... 

AMI A New General Purpose Quantum Mechanical Molecular Model. 

Dewar M J S, C Jie and J Yu 1993. SAMI The First of a New Series of General Purpose Quantum Mechanical Molecular Models. Tetrahedron 49 5003-5038. 

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