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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Connected triple excitations in coupled-cluster calculations of hyperpolarizabilities: Neon
TL;DR: In this paper, the second hyperpolarizability gamma of neon using the CCSD(T) method was calculated using extended basis sets that are known to be adequate for the description of gamma.
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A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experiment
Alejandro J. Garza,Osman I. Osman,Nuha Wazzan,Sher Bahadar Khan,Abdullah M. Asiri,Gustavo E. Scuseria,Gustavo E. Scuseria +6 more
TL;DR: In this paper, the nonlinear optical properties of N-ethyl dicyanoc carbazole (1), N-methyl cyanoethylacetate (CEC) carbazoles (2), and Nethyl dimethylacetates (DDE) are studied with traditional hybrid and long-range corrected (LC) density functional theory (DFT) methods.
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Energies of isoelectronic atomic ions from a successful metageneralized gradient approximation and other density functionals
TL;DR: In this article, the authors show that the performance of approximate Kohn-Sham density functional theory for highly charged atomic ions is improved dramatically by ensuring that the exchange functional recovers the correct leading term in the $Z$ expansion of the exchange energy.
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Thermofield theory for finite-temperature quantum chemistry.
TL;DR: A general framework for constructing finite temperature correlated wave function methods typical of ground state methods is described and two distinct approaches to the resulting imaginary time Schrödinger equation are introduced, which are referred to as fixed-reference and covariant methods.
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Diatomic chromium (Cr2): application of the coupled cluster method including all single and double excitation (CCSD)
TL;DR: In this paper, the Cr2 molecule has been investigated using ab initio quantum mechanical methods in conjunction with basis sets as large as (14s11p6d2flg/10s8p3d2FLg), i.e. 144 contracted Gaussian functions.