12k citations · 33.8k across the 125 of their papers we have counts for
Showing 2013 · physics.chem-phShow all
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physics.chem-ph2013★ 50 cited
Thermal Density Functional Theory in Context
Aurora Pribram-Jones, Stefano Pittalis, E. K. U. Gross +1
This chapter introduces thermal density functional theory, starting from the ground-state theory and assuming a background in quantum mechanics and statistical mechanics. We review…
physics.chem-ph2013★ 140 cited
Orbital-free Bond Breaking via Machine Learning
John C. Snyder, Matthias Rupp, Katja Hansen +3
Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic…