Anthony D. Dutoi

Physics and Astronomy · Physical Sciences

17h-index8.4kcitations68works0.62yr avg
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Research Topics

Advanced Chemical Physics Studies(32), Spectroscopy and Quantum Chemical Studies(30), Molecular Junctions and Nanostructures(14), Laser-Matter Interactions and Applications(11), Electron and X-Ray Spectroscopy Techniques(6)

Publications68 total

A General Predictive and Conceptual Model for Repulsive Electronic States in Valence Ionized Molecules
Journal of Chemical Theory and Computation·2026Open Access
Optimization of fragment state spaces within the excitonic renormalization framework
The Journal of Chemical Physics·2025Open Access
Characterizing the Intrinsic Background in XPS Using the Narrow-Shirley Approach
The Journal of Physical Chemistry C·2025Open Access
The Coupled-Resonances Asymmetric Lineshape for Photoemission Spectra
The Journal of Physical Chemistry C·2025· 1 citedOpen Access
Quantitative Modeling of Excited-State Dynamics in Valence Photoionized Vinyl Fluoride
The Journal of Physical Chemistry A·2025· 3 cited
A New Structure for Analyzing the Intrinsic Background in X-Ray Photoelectron Spectroscopy: The Narrow Shirley Background
SSRN Electronic Journal·2025Open Access
Series expansion of a scalable Hermitian excitonic renormalization method
The Journal of Chemical Physics·2024· 1 cited
Series Expansion of a Scalable Hermitian Excitonic Renormalization Method
arXiv (Cornell University)·2024Open Access
<scp>A2Cloud‐RF</scp>: A random forest based statistical framework to guide resource selection for<scp>high‐performance</scp>scientific computing on the cloud
Concurrency and Computation Practice and Experience·2020· 12 citedOpen Access
Translationally transformed coupled-cluster theory in a local basis for periodic systems
Scholarly Commons (University of the Pacific)·2019
Systematically improvable excitonic Hamiltonians for electronic structure theory
Molecular Physics·2018· 8 citedOpen Access
High level ab initio simulations for surface chemistry
Scholarly Commons (University of the Pacific)·2018
Excitonically renormalised coupled-cluster theory
Figshare·2018Open Access
Excitonic Coupled-cluster Theory for Large-scale Electronic Structure Calculations
Scholarly Commons (University of the Pacific)·2018
Intensity modulation of the Shirley background of the Cr 3 <i>p</i> spectra with photon energies around the Cr 2 <i>p</i> edge
Surface and Interface Analysis·2017· 19 cited
Excitonic Coupled-cluster Theory: Part II, Electronic Hamiltonian
2017· 1 citedOpen Access
Excitonic Coupled-cluster Theory: Part I, General Formalism
2017· 1 citedOpen Access
Excitonic Coupled-cluster Theory: Part I, General Formalism
2017· 1 citedOpen Access
Excitonic Coupled-cluster Theory: Part II, Electronic Hamiltonian
2017Open Access
Excitonic Coupled-cluster Theory: Part I, General Formalism
2017Open Access
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Frequent Co-authors

Martin Head‐Gordon(14), Andreas Dreuw(7), Lorenz S. Cederbaum(7), Michael Wormit(6), Yuhong Liu(6), Rohini C. Lochan(4), Yousung Jung(4), Yihan Shao(3), Alberto Herrera‐Gómez(3), D. Cabrera‐German(3), Andrew T. B. Gilbert(2), Jörg Kußmann(2), Matthew Goldey(2), Emil Proynov(2), Young Min Rhee(2), Ryan P. Steele(2), H. Lee Woodcock(2), Brian Austin(2), Gregory J. O. Beran(2), Shawn T. Brown(2)