Gary W. Trucks

Physics and Astronomy · Physical Sciences

31h-index20.8kcitations52works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(39), Spectroscopy and Quantum Chemical Studies(19), Atmospheric Ozone and Climate(10), Molecular Junctions and Nanostructures(7), Inorganic Fluorides and Related Compounds(7)

Publications52 total

Density of States Guided Møller–Plesset Perturbation Theory
Journal of Chemical Theory and Computation·2014· 3 cited
Reprint of: A fifth-order perturbation comparison of electron correlation theories
Chemical Physics Letters·2013· 45 citedOpen Access
Projected Coupled Cluster Amplitudes from a Different Basis Set As Initial Guess
Journal of Chemical Theory and Computation·2011· 2 cited
Modelling the Runtime of the Gaussian Computational Chemistry Application and Assessing the Impacts of Microarchitectural Variations
Procedia Computer Science·2011· 10 citedOpen Access
Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?
Journal of Chemical Theory and Computation·2010· 140 cited
Oscillator Strengths in ONIOM Excited State Calculations
Journal of Chemical Theory and Computation·2010· 10 cited
Link atom bond length effect in ONIOM excited state calculations
The Journal of Chemical Physics·2010· 13 citedOpen Access
Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation
The Journal of Physical Chemistry Letters·2010· 59 cited
A Comparison of Three Variants of the Generalized Davidson Algorithm for the Partial Diagonalization of Large Non-Hermitian Matrices
Journal of Chemical Theory and Computation·2010· 19 cited
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach
The Journal of Chemical Physics·2010· 51 cited
Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment
Journal of Chemical Theory and Computation·2010· 221 cited
On the difference between the transition properties calculated with linear response- and equation of motion-CCSD approaches
The Journal of Chemical Physics·2009· 44 cited
Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: Benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree–Fock
The Journal of Chemical Physics·2009· 20 citedOpen Access
Permanganate Oxidation of Alkenes. Substituent and Solvent Effects. Difficulties with MP2 Calculations
Journal of the American Chemical Society·2006· 27 cited
Second-order Møøller–Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene
Theoretical Chemistry Accounts·2004· 13 cited
Optical Activity of 1-Butene, Butane, and Related Hydrocarbons
The Journal of Physical Chemistry A·2003· 57 cited
A Comparison of the Electronic Transition Energies for Ethene, Isobutene, Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of Basis Sets
The Journal of Physical Chemistry A·2002· 111 cited
Two charged particles in a one-dimensional well
American Journal of Physics·2001· 9 citedOpen Access
Vibrational Analysis of the Ground States of Trifluoroacetyl Fluoride and Trifluoroacetyl Chloride
The Journal of Physical Chemistry A·1999· 5 cited
A comparison of models for calculating nuclear magnetic resonance shielding tensors
The Journal of Chemical Physics·1996· 2.3k cited
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Frequent Co-authors

Michael J. Frisch(19), Krishnan Raghavachari(14), Rodney J. Bartlett(12), Marco Caricato(10), John A. Pople(7), Kenneth B. Wiberg(7), E. Alan Salter(6), Martin Head‐Gordon(4), G. S. Higashi(4), Yves J. Chabal(4), John D. W. Watts(4), James R. Cheeseman(3), Jozef Noga(3), Thom Vreven(3), Larry A. Curtiss(2), Nicholas C. Handy(2), Carlos Sosa(2), Eric S. Replogle(2), Giovanni Scalmani(2), Yigui Wang(2)