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.
Papers
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Journal ArticleDOI
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?
Leonardo A. Cunha,Leonardo A. Cunha,Joonho Lee,Joonho Lee,Diptarka Hait,Diptarka Hait,C. William McCurdy,C. William McCurdy,Martin Head-Gordon,Martin Head-Gordon +9 more
TL;DR: In this paper, the behavior of different classes of Hartree-Fock spin polarized solutions (restricted, unrestricted, and generalized) in the context of ionization by strong static electric fields is studied.
Journal ArticleDOI
An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3.
Jonathan Zheng-Zing Wong,Brad Ganoe,Xiao Liu,Tim Neudecker,Joonho Lee,Jiashu Liang,Zhe Wang,Jie Li,Adam V. Rettig,Teresa Head-Gordon,Martin Head-Gordon +10 more
TL;DR: In this paper , the authors developed and implemented a method-independent, fully numerical, finite difference approach to calculate nuclear magnetic resonance shieldings, using gauge-including atomic orbitals, which can be used to explore non-standard methods, given only the energy as a function of finite-applied magnetic fields and nuclear spins.
Journal ArticleDOI
Cost-effective description of strong correlation: efficient implementations of the perfect quadruples and perfect hextuples models
TL;DR: With the novel implementation of PQ, active spaces of 140 electrons in 140 orbitals can be solved in a matter of minutes on a single core workstation, and the relatively low polynomial scaling means that very large systems are also accessible using parallel computing.
DatasetDOI
Research data supporting "Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission"
Hannah L. Stern,Alexandre Cheminal,Yost,Katharina Broch,Sam L. Bayliss,Ke Chen,Maxim Tabachnyk,Karl J. Thorley,Neil C. Greenham,Justin M. Hodgkiss,John E. Anthony,Martin Head-Gordon,Andrew J. Musser,Akshay Rao,Richard H. Friend +14 more
TL;DR: In this article, the authors presented the data corresponding to the data presented in the Journal Article, "Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission" conducted in the Cavendish between years 2013-2016 by Stern and co-workers.
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Assessment of Performance of Density Functionals for Predicting Potential Energy Curves in Hydrogen Storage Applications.
TL;DR: Veccham et al. as mentioned in this paper extended the H2Bind78 × 7 data set with 389 new data points to include two compressed and three elongated geometries along 78 potential energy curves (PECs) for H2 binding.