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Journal of Computational Chemistry|August 25, 2016

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradientsRoman Łazarski, Asbjörn Manfred Burow, Lukáš Grajciar, et al.

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Journal of Computational Chemistry|August 25, 2016

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradientsRoman Łazarski, Asbjörn Manfred Burow, Lukáš Grajciar, et al.

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