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M

Martin Head‐Gordon

University of California, BerkeleyORCID https://orcid.org/0000-0002-4309-6669

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Publications

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Citations

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Impact (2-yr)

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Top Publications

A fifth-order perturbation comparison of electron correlation theories

Chemical Physics Letters19898,397 citations

Quadratic configuration interaction. A general technique for determining electron correlation energies

The Journal of Chemical Physics19874,521 citations

Systematic optimization of long-range corrected hybrid density functionals

The Journal of Chemical Physics20083,988 citations

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Molecular Physics20143,103 citationsCorresponding

Advances in methods and algorithms in a modern quantum chemistry program package

Physical Chemistry Chemical Physics20062,783 citationsCorresponding

MP2 energy evaluation by direct methods

Chemical Physics Letters19882,777 citationsFirst authorCorresponding

Toward a systematic molecular orbital theory for excited states

The Journal of Physical Chemistry19922,376 citations

Time-dependent density functional theory within the Tamm–Dancoff approximation

Chemical Physics Letters19992,246 citations

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

Molecular Physics20172,222 citationsCorresponding

A direct MP2 gradient method

Chemical Physics Letters19901,833 citations

Current Status of the AMOEBA Polarizable Force Field

The Journal of Physical Chemistry B20101,457 citations

Semi-direct algorithms for the MP2 energy and gradient

Chemical Physics Letters19901,319 citations

Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

Chemical Physics Letters1994915 citationsFirst authorCorresponding

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

Physical Chemistry Chemical Physics2013896 citationsCorresponding

Mechanism of CO<sub>2</sub> Reduction at Copper Surfaces: Pathways to C<sub>2</sub> Products

ACS Catalysis2018890 citations

Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO<sub>2</sub>: New Theoretical Insights from an Improved Electrochemical Model

The Journal of Physical Chemistry Letters2016667 citations

Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals

The Journal of Physical Chemistry A2007620 citations