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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Reprint of: A fifth-order perturbation comparison of electron correlation theories
TL;DR: In this paper, a new augmented version of coupled-cluster theory, denoted as CCSD (T), is proposed to remedy some of the deficiencies of previous augmented coupledcluster models.
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Third-Order Møller-Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions.
TL;DR: In this paper, second-and third-order perturbation theory (MP3) using orbitals obtained from regularized orbital-optimized second-order OOMP theory, κ-OOMP2, denoted as MP3.
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Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states
Kristina D. Closser,Kristina D. Closser,Oliver Gessner,Martin Head-Gordon,Martin Head-Gordon +4 more
TL;DR: The dynamics resulting from electronic excitations of helium clusters were explored using ab initio molecular dynamics and configuration interaction singles and adiabatic classical dynamics coupled to a state-following algorithm.
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Attenuating Away the Errors in Inter- and Intramolecular Interactions from Second-Order Møller-Plesset Calculations in the Small Aug-cc-pVDZ Basis Set.
TL;DR: Range-separation of MP2 could yield more tractable and/or accurate forms for short- and long-range correlation and perform far better than MP2/aDZ across systems with hydrogen-bonding, dispersion, and mixed interactions at a fraction ofMP2/CBS computational cost.
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Dissociative photoionization of glycerol and its dimer occurs predominantly via a ternary hydrogen-bridged ion-molecule complex.
Franziska Bell,Qiao N. Ruan,Amir Golan,Paul R. Horn,Musahid Ahmed,Stephen R. Leone,Martin Head-Gordon +6 more
TL;DR: Energy decomposition analysis reveals that electrostatic and charge-transfer interactions are equally important in hydrogen-bridged ion-molecule complexes.