The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Engineering topics
Rebolini, Elisa
Publications and source records attributed to Rebolini, Elisa.
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
In this paper, the history, present status, and future of density-functional theory (DFT) is informally reviewed and discussed by 70 workers in the field, including molecular scientists, materials scientists, method developers and practitioners.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗