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researcher

S. Slattery

1 paper hereh-index 3254 citations7 works total

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fields
  • physics.chem-ph1

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most citedEconomical Quasi-Newton Self Consistent Field Solver

11 citations · 11 across the 1 of their papers we have counts for

collaborators

1 paper

physics.chem-ph2023★ 11 cited

Economical Quasi-Newton Self Consistent Field Solver

Samuel A. Slattery, Kshitijkumar Surjuse, Edward F. Valeev

We present an efficient quasi-Newton orbital solver optimized to reduce the number of gradient (Fock matrix) evaluations. The solver optimizes orthogonal orbitals by sequences of u…

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Not affiliated with arXiv. Researcher data from Semantic Scholar (ODC-BY) and OpenAlex.