G
Gustavo E. Scuseria
Researcher at Rice University
Publications - 666
Citations - 108911
Gustavo E. Scuseria is an academic researcher from Rice University. The author has contributed to research in topics: Density functional theory & Coupled cluster. The author has an hindex of 120, co-authored 658 publications receiving 95195 citations. Previous affiliations of Gustavo E. Scuseria include Budapest University of Technology and Economics & Ohio State University.
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Journal ArticleDOI
The Unimolecular Triple Dissociation of Glyoxal: Transition-State Structures Optimized by Configuration Interaction and Coupled Cluster Methods
Journal ArticleDOI
On the equivalence of LIST and DIIS methods for convergence acceleration
TL;DR: In this article, the authors demonstrate the mathematical equivalence between the recently proposed list methods and Pulay's DIIS, and explain the differences in performance among the various list methods.
Journal ArticleDOI
Confronting Racism in Chemistry Journals
Cynthia J. Burrows,Jiaxing Huang,Shu Wang,Hyun Jae Kim,Gerald J. Meyer,Kirk S. Schanze,T. Randall Lee,Jodie L. Lutkenhaus,David Kaplan,Christopher W. Jones,Carolyn R. Bertozzi,Laura L. Kiessling,Mary Beth Mulcahy,Craig W. Lindsley,M. G. Finn,Joel D. Blum,Prashant V. Kamat,Wonyong Choi,Shane A. Snyder,Courtney C. Aldrich,Stuart J. Rowan,Bin Liu,Dennis C. Liotta,Paul S. Weiss,Deqing Zhang,Krishna N. Ganesh,Harry A. Atwater,J. Justin Gooding,David T. Allen,Christopher A. Voigt,Jonathan V. Sweedler,Alanna Schepartz,Vincent M. Rotello,Sébastien Lecommandoux,Shana J. Sturla,Sharon Hammes-Schiffer,Jillian M. Buriak,Jonathan W. Steed,Hongwei Wu,Julie B. Zimmerman,Bryan W. Brooks,Phillip E. Savage,William B. Tolman,Thomas Hofmann,Joan F. Brennecke,Thomas A. Holme,Kenneth M. Merz,Gustavo E. Scuseria,William L. Jorgensen,Gunda I. Georg,Shaomeng Wang,Philip Proteau,John R. Yates,Peter Stang,Gilbert C. Walker,Marc A. Hillmyer,Lynne S. Taylor,Teri W. Odom,Erick M. Carreira,Kai Rossen,Paul J. Chirik,Scott J. Miller,Joan-Emma Shea,Anne B. McCoy,Martin T. Zanni,Gregory V. Hartland,Gregory Scholes,Joseph A. Loo,James Milne,Sarah B. Tegen,Daniel T. Kulp,Julia Laskin +71 more
TL;DR: The American Chemical Society (ACS) as discussed by the authors published a joint editorial that condemned the tragic deaths of Black people and stand in solidarity with Black members of the science and engineering community.
Journal ArticleDOI
Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions.
Guo P. Chen,Gustavo E. Scuseria +1 more
TL;DR: In this paper , a robust formulation of Wick's theorem that stays well-behaved regardless of whether the HFB states are orthogonal or not is presented, and a computationally efficient version of their formalism enables robust symmetry-projected HFB calculations with the same computational cost as mean field theories.
Journal ArticleDOI
Confronting Racism in Chemistry Journals.
Cynthia J. Burrows,Jiaxing Huang,Shu Wang,Hyun Jae Kim,Gerald J. Meyer,Kirk S. Schanze,T. Randall Lee,Jodie L. Lutkenhaus,David Kaplan,Christopher W. Jones,Carolyn R. Bertozzi,Laura L. Kiessling,Mary Beth Mulcahy,Craig W. Lindsley,M. G. Finn,Joel D. Blum,Prashant V. Kamat,Wonyong Choi,Shane A. Snyder,Courtney C. Aldrich,Stuart J. Rowan,Bin Liu,Dennis C. Liotta,Paul S. Weiss,Deqing Zhang,Krishna N. Ganesh,Harry A. Atwater,J. Justin Gooding,David T. Allen,Christopher A. Voigt,Jonathan V. Sweedler,Alanna Schepartz,Vincent M. Rotello,Sébastien Lecommandoux,Shana J. Sturla,Sharon Hammes-Schiffer,Jillian M. Buriak,Jonathan W. Steed,Hongwei Wu,Julie B. Zimmerman,Bryan W. Brooks,Phillip E. Savage,William B. Tolman,Thomas Hofmann,Joan F. Brennecke,Thomas A. Holme,Kenneth M. Merz,Gustavo E. Scuseria,William L. Jorgensen,Gunda I. Georg,Shaomeng Wang,Philip Proteau,John R. Yates,Peter Stang,Gilbert C. Walker,Marc A. Hillmyer,Lynne S. Taylor,Teri W. Odom,Erick M. Carreira,Kai Rossen,Paul J. Chirik,Scott J. Miller,Joan-Emma Shea,Anne B. McCoy,Martin T. Zanni,Gregory V. Hartland,Gregory Scholes,Joseph A. Loo,James Milne,Sarah B. Tegen,Daniel T. Kulp,Julia Laskin +71 more
TL;DR: The American Chemical Society (ACS) as mentioned in this paper published a joint editorial that condemned the tragic deaths of Black people and stand in solidarity with Black members of the science and engineering community.