Dec 082010

Toru Shiozaki, University of Stuttgart, Germany

Journal of Unsolved Questions, 1, 1, Articles, 1-6 (2011) (Received November 14th, published online December 8th 2010)

Explicitly correlated F12 theories have been developed in the past decades to rectify the slow convergence
of dynamical electron correlation models with basis size, in which additional two-electron integrals over F12 kernels
are required. This article reviews some existing algorithms for these integrals, including the author’s attempt,
and leave an open question: what will be the most efficient algorithm (and who wants to implement it into a tightly
optimized code)?

Read more: Download “Call for another Seward: Optimization of F12 integral evaluation

Keywords: theoretical chemistry, F12 methods, integral evaluation

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