M
Martin Head-Gordon
Researcher at University of California, Berkeley
Publications - 624
Citations - 87792
Martin Head-Gordon is an academic researcher from University of California, Berkeley. The author has contributed to research in topics: Density functional theory & Excited state. The author has an hindex of 108, co-authored 571 publications receiving 75747 citations. Previous affiliations of Martin Head-Gordon include Goethe University Frankfurt & Monash University, Clayton campus.
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Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur cluster.
TL;DR: An extension of CCVB, termed CCVB+i3, is reported here that includes an independent (i) amplitude approximation to the 3-pair recouplings, and astonishingly, PP+i2 can also correctly separate systems that CCVB cannot.
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Viscosity of the Aqueous Liquid/Vapor Interfacial Region: 2D Electrochemical Measurements with a Piperidine Nitroxy Radical Probe
TL;DR: The viscosity of the aqueous liquid/vapor interfacial region obtained by interpreting the Tempo diffusion constant in the low concentration region is as much as 4 times smaller than that of bulk liquid water.
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Shared memory multiprocessing implementation of resolution-of-the-identity second-order Møller–Plesset perturbation theory with attenuated and unattenuated results for intermolecular interactions between large molecules
TL;DR: The second-order Møller–Plesset perturbation theory energy under the resolution-of-the-identity approximation (RI-MP2) is examined and an improved algorithm for single-node, multi-threaded computation is presented.
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An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory
TL;DR: In this article, an additive long-range potential was proposed to correct the wrong asymptotic behavior of the potential energy surfaces with respect to charge-separating coordinates, which can be directly employed with any existing local, GGA or hybrid functional without re-fitting of the original functionals.
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A General Sparse Tensor Framework for Electronic Structure Theory
Samuel F. Manzer,Samuel F. Manzer,Evgeny Epifanovsky,Anna I. Krylov,Martin Head-Gordon,Martin Head-Gordon +5 more
TL;DR: This work reports the development of a highly efficient symbolic block-sparse tensor library in order to provide access to high-level software constructs to treatment of linear-scaling sparse tensor contractions.