Call for another Seward: Optimization of F12 integral evaluation

Toru Shiozaki

Research output: Contribution to journalArticle


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)?
Original languageEnglish (US)
JournalJournal of Unsolved Questions
StatePublished - 2011


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