245 citations · 2.1k across the 36 of their papers we have counts for
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physics.chem-ph2018★ 51 cited
Even-handed subsystem selection in projection-based embedding
Matthew Welborn, Frederick R. Manby, Thomas F. Miller
Projection-based embedding offers a simple framework for embedding correlated wavefunction methods in density functional theory. Partitioning between the correlated wavefunction an…
physics.chem-ph2018★ 233 cited
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F. Miller
We present a machine learning (ML) method for predicting electronic structure correlation energies using Hartree-Fock input.The total correlation energy is expressed in terms of in…