Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients - researchr publication

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Roman Lazarski, Asbjörn M. Burow, Lukás Grajciar, Marek Sierka. Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients. Journal of Computational Chemistry, 37(28):2518-2526, 2016. [doi]

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