2.3k citations · 16.8k across the 81 of their papers we have counts for
Showing 2013 · physics.chem-phShow all
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physics.chem-ph2013★ 658 cited
Long-range correlation energy calculated from coupled atomic response functions
Alberto Ambrosetti, Anthony M. Reilly, Robert A. DiStasio +1
An accurate determination of the electron correlation energy is essential for describing the structure, stability, and function in a wide variety of systems, ranging from gas-phase…
physics.chem-ph2013★ 635 cited
Machine Learning of Molecular Electronic Properties in Chemical Compound Space
Grégoire Montavon, Matthias Rupp, Vivekanand Gobre +5
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identifica…