G
Gary W. Trucks
Researcher at Yale University
Publications - 49
Citations - 16835
Gary W. Trucks is an academic researcher from Yale University. The author has contributed to research in topics: Coupled cluster & Electronic correlation. The author has an hindex of 28, co-authored 49 publications receiving 15914 citations. Previous affiliations of Gary W. Trucks include Carnegie Mellon University & University of Florida.
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A fifth-order perturbation comparison of electron correlation theories
TL;DR: In this paper, a new augmented version of coupled-cluster theory, denoted as CCSD(T), is proposed to remedy some of the deficiencies of previous augmented coupledcluster models.
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Gaussian-2 theory for molecular energies of first- and second-row compounds
TL;DR: The Gaussian-2 theoretical procedure (G2 theory) as discussed by the authors was proposed to calculate molecular energies (atomization energies, ionization potentials, and electron affinities) of compounds containing first and second-row atoms.
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A comparison of models for calculating nuclear magnetic resonance shielding tensors
TL;DR: In this article, the direct implementation of the GIAO and CSGT methods for calculating nuclear magnetic shielding tensors at both the Hartree-Fock and density functional levels of theory is presented.
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Highly correlated systems. Ionization energies of first row transition metals Sc–Zn
TL;DR: In this paper, the low-lying dns2→dn+1s1 excitation energies of the first row transition metal atoms Sc-Cu are calculated using fourth-order M≂ller-Plesset perturbation theory (MP4) as well as quadratic configuration interaction (QCI) techniques with large spd and spdf basis sets.
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Gaussian‐1 theory of molecular energies for second‐row compounds
TL;DR: In this article, the Gaussian-1 theoretical procedure is extended and tested on compounds containing second-row atoms (Na-Cl) to an accuracy of better than 3 kcal/mol in most cases, SO2 being the notable exception.