Abstract
In quantum chemical research a considerable fraction of the effort is devoted to improving the computational strategy. The work in this field can basically be characterized as aiming at a single goal: how can larger systems be made more accessible to increasingly sophisticated methods? It is evident that the development of modern computer hardware and software has greatly accelerated progress towards this goal. This development, however, has not been uniform: rather, different functions of the average computer have improved in performance by different degrees. In order to design optimally efficient computational methods, such changes in computer architecture and performance profile must be carefully analyzed.
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Almlöf, J., Taylors, P.R. (1984). Computational Aspects of Direct SCF and MCSCF Methods. In: Dykstra, C.E. (eds) Advanced Theories and Computational Approaches to the Electronic Structure of Molecules. NATO ASI Series, vol 133. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6451-8_7
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DOI: https://doi.org/10.1007/978-94-009-6451-8_7
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