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To achieve linear scaling for correlation calculations it is neccessary to employ expansions in terms of localized functions. The use of localized functions may on the other hand degrade or destroy the convergence of the iterative procedures involved in determining the correlation part of the wave function.
In this talk, I will adress the development of locak basis functionsm that may obtained by linear scaling methods, and that will provide reasonable convergence. Central for these development, is the introduction of a general theory of second quantization, that allows for an non-orthogonal and singular basis. |
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