Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

21 Feb 2019Yann GarnironThomas ApplencourtKevin GasperichAnouar BenaliAnthony FertéJulien PaquierBarthélémy PradinesRoland AssarafPeter ReinhardtJulien ToulousePierrette BarbarescoNicolas RenonGrégoire DavidJean-Paul MalrieuMickaël VérilMichel CaffarelPierre-François LoosEmmanuel GinerAnthony Scemama

\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods and multi-reference second-order perturbation theory (PT2)... (read more)

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