most citedDirect determination of optimal real-space orbitals for correlated electronic structure of molecules

6 citations · 6 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2022★ 6 cited

Direct determination of optimal real-space orbitals for correlated electronic structure of molecules

Edward F. Valeev, Robert J. Harrison. Adam A. Holmes, Charles C. Peterson +1

We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules…