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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Projected Hartree Fock Theory as a Polynomial Similarity Transformation Theory of Single Excitations
TL;DR: In this article, the authors proposed a single-excitation polynomial similarity transformation theory, which is an alternative to our recently presented double excitation theory, but supports projected Hartree-Fock and coupled cluster simultaneously rather than interpolating between them.
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Scalar relativistic all-electron density functional calculations on periodic systems.
TL;DR: With this methodology, this work is able to perform relativistic all-electron density functional calculations using the traditional local spin-density and generalized gradient approximations (GGA), as well as meta-GGA and hybrid density functionals.
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Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals
TL;DR: JMP2's explicit inclusion of (approximate) like-spin correlation effects provides significant improvements over SOS-MP2 for thermochemistry, and it is shown here that both JMP2 and SOS- MP2 provide a reasonable treatment of long-range correlation when combined with a short-range exchange-correlation functional.
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A coupled cluster study of the classical barrier height of the F+H2→FH+H reaction
TL;DR: In this paper, the CCSD(T) method was used to predict the barrier height of the F+H2→FH+H reaction in comparison with full configuration interaction (FCI) calculations in smaller basis sets.
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The dipole polarizability of Li
Sylvio Canuto,Włodzisław Duch,Jan Geertsen,Florian Müller-Plathe,Jens Oddershede,Gustavo E. Scuseria +5 more
TL;DR: In this paper, the lowest excitation energies and the static dipole polarizability of Li− as well as the electron affinity of Li using current quantum-chemical methods, including full CI.