Quantum codes, integral evaluation

This review is necessarily selective, and is divided into several sections. Initially we give an overview of the availability of supercomputers in the U.K., and summarise the experience gained in the implementation of various quantum chemistry packages. Optimization of Quantum Chemistry codes on the CRAY-1 is considered, with integral evaluation, self-consistent-field and integral transformation phases of quantum chemical studies being considered together with some aspects of the correlation problem. 

Tools developed in the previous section will be utilized to analyze some of the different integral evaluation schemes. The mathematics, however, stops at this point, or as Boys states after having the analytic expressions for the simplest ERI ... we can easily derive the formulae for the general class. .. . From this point onwards the principal matter is to make the most efficient use of the tools as possible. The methods covered will involve most of those available in the standard quantum chemistry packages today. The Pople-Hehre method is included for historical reasons as it constituted the first efficient integral code. The early versions of GAUSSIAN owe much of their success to this integral evaluation scheme. 

---