Integral-direct algorithm parallel

M. Schiitz and R. Lindh, An integral direct, distributed-data, parallel MP2 algorithm, Theor. Chim. Acta, 95 (1997), 13-34. 

One of the specihc types of solutions for ab initio electronic structure was direct methods wherein intermediate quantities (two-electron integrals) normally stored on disk were recomputed when needed [7]. Binkley s report went on to say that the effort to adapt to the special features of vector and parallel architectures led to the production of better scalar algorithms. In other words, the basic ideas behind algorithms were influenced by the technology, in this case, computer architecture, and this is really a very significant and constant theme in the evolution of theoretical and computational chemistry. 

The development of ccMBPT algorithms, which, as described in Section 2.7, effectively exploit the power of parallel processing machines, and direct techniques,39-42 which avoid the need to store the many two-electron integrals arising, has facilitated the use of the large and flexible basis sets of the universal type. 

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