G
Gustavo E. Scuseria
Researcher at Rice University
Publications - 666
Citations - 108911
Gustavo E. Scuseria is an academic researcher from Rice University. The author has contributed to research in topics: Density functional theory & Coupled cluster. The author has an hindex of 120, co-authored 658 publications receiving 95195 citations. Previous affiliations of Gustavo E. Scuseria include Budapest University of Technology and Economics & Ohio State University.
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Transmission mechanisms of chalcogen—carbon coupling constants in selenophene and tellurophene according to the PRMO—SCPT—INDO method
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The Laplace Transform Perturbative Triples Correction Ansatz
TL;DR: In this article, the spin-unrestricted Laplace transform fourth-order perturbative triples correction is implemented for medium-size molecules and a reduction in the computational scaling with respect to canonical implementations is attained without relying on the large molecule asymptote.
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On the equivalence of LIST and DIIS methods for convergence acceleration.
TL;DR: It is demonstrated the mathematical equivalence between the recently proposed family of LIST methods and the general form of Pulay's DIIS with specific error vectors.
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Strong correlations via constrained-pairing mean-field theory
TL;DR: In this paper, a mean-field approach for accurately describing strong correlations via electron number fluctuations and pairings constrained to an active space is presented, which yields a two-particle density matrix ansatz that exclusively describes strong correlations.
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Geometry Optimization of Kringle 1 of Plasminogen Using the PM3 Semiempirical Method
TL;DR: In this article, the results of a geometry optimization on the 1226 atom Kringle 1 of plasminogen were presented, where the energy and gradient were calculated using a linear scaling PM3 semi-empirical method with a conjugate gradient density matrix search replacing the diagonalization step.