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
Long-range corrected double-hybrid density functionals
Jeng-Da Chai,Martin Head-Gordon +1 more
TL;DR: This LC "double-hybrid" density functional, denoted as omegaB97X-2, is fully optimized both at the complete basis set limit (using 2-point extrapolation from calculations using triple and quadruple zeta basis sets), and also separately using the somewhat less expensive 6-311++G(3df,3pd) basis.
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How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?
TL;DR: The main strength of the hybrid Minnesota density functionals is that the best ones provide very good performance for thermochemistry, and the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies.
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Generalized Unitary Coupled Cluster Wave functions for Quantum Computation.
Joonho Lee,Joonho Lee,William J. Huggins,William J. Huggins,Martin Head-Gordon,Martin Head-Gordon,K. Birgitta Whaley,K. Birgitta Whaley +7 more
TL;DR: In this article, a unitary coupled-cluster (UCC) ansatz based on a family of sparse generalized doubles operators, called k-UpCCGSD, was proposed for quantum computing applications.
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Theoretical study of blocked glycine and alanine peptide analogs
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Linear and sublinear scaling formation of Hartree-Fock-type exchange matrices
TL;DR: In this article, a new method (LinK) was proposed to form the exact exchange matrix, as needed in Hartree-Fock and hybrid density functional theory calculations, with an effort capable of scaling only linearly with molecular size.