Perturbation Theory and Its Application to the Molecular Electronic Structure Problem

AH practical applications of the methods of molecular quantum mechanics involve approximations. They involve the construction of what Pople and his coworkers have termed a theoretical model chemistry. I concluded my last review with a hst of properties that one might wish a theoretical model chemistry to have. It read as follows  

provide well defined results for the energies of arbitrary electronic states for any arrangement of fixed nuclei (including dissociative processes), leading to a set of continuous potential energy surfaces  

Chemical Modellmg Applications and Theory, Volume 2 The Royal Society of Chemistry, 2002 

be amenable to efficient parallel computation so that the elapsed time required for calculations does not increase too rapidly with the size of the 

support energy and other expectation values which scale linearly with the number of electrons in the system  

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Many-body Perturbation Theory and Its Application to the Molecular Electronic Structure Problem... 

Moller-Plesset many-body perturbation theory taken through second order in the energy is the most commonly used ab initio molecular electronic structure method in contemporary quantum chemistry. For this report on many-body perturbation theory and its application to the molecular electronic structure problem we restricted our survey of applications to second-order Moller-Plesset perturbation theory. Even with this restriction, the nmnber of pubhcations appearing in the period covered by our review - namely, June 1999 to May 2001 - is sizeable. We recorded in the introduction that 883 publications containing the string MP2 in the title or keywords appeared in the year 2000 alone. However, rather than review just a small subset of these publications we decided to try to convey the... 

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