Publications by authors named "CW McCurdy"

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Overset-Grid Method with Smooth Orbital Partitioning for Molecular Scattering Calculations.
Yuchen Liu, Jan Dvořák, Loren Greenman, C William McCurdy, Robert R Lucchese

J Chem Theory Comput· December 2025

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Probing autoionization decay lifetimes of the 4d-16ℓ core-excited states in xenon using attosecond noncollinear four-wave-mixing spectroscopy.
Nicolette G Puskar, Patrick Rupprecht, Jan Dvořák, Yen-Cheng Lin, Avery E Greene, C William McCurdy

J Chem Phys· November 2025

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Extraction of Double Photoionization Amplitudes from Full-Scattered Wave Functions.
Alexander A Sadamune, Robert R Lucchese, C William McCurdy, Frank L Yip

J Chem Theory Comput· May 2025

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Revealing the photochemical pathways of nitrate in water through first-principles simulations.
Kam-Tung Chan, Margaret L Berrens, Zekun Chen, C William McCurdy, Cort Anastasio

J Chem Phys· April 2025

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An Orbital Basis Set for Double Photoionization of Atoms and Molecules.
Roger Y Bello, Frank L Yip, Zachary Streeter, Robert Lucchese, C William McCurdy

J Chem Theory Comput· October 2024

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Tracking ultrafast non-adiabatic dissociation dynamics of the deuterated water dication molecule.
W Iskandar, T N Rescigno, A E Orel, K A Larsen, T Severt, C W McCurdy

J Chem Phys· July 2024

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Efficiency of charge transfer in changing the dissociation dynamics of OD+ transients formed after the photo-fragmentation of D2O.
W Iskandar, T N Rescigno, A E Orel, T Severt, K A Larsen, C W McCurdy

J Chem Phys· September 2023

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Filming enhanced ionization in an ultrafast triatomic slingshot.
Andrew J Howard, Mathew Britton, Zachary L Streeter, Chuan Cheng, Ruaridh Forbes, C William McCurdy

Commun Chem· April 2023

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Strongly coupled intermediate electronic states in one-color two-photon single valence ionization of O.
Kirk A Larsen, Roger Y Bello, Robert R Lucchese, C William McCurdy, Daniel S Slaughter

J Chem Phys· January 2023

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Step-by-step state-selective tracking of fragmentation dynamics of water dications by momentum imaging.
Travis Severt, Zachary L Streeter, Wael Iskandar, Kirk A Larsen, Averell Gatton, C William McCurdy

Nat Commun· September 2022

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, C William McCurdy

J Chem Phys· August 2021

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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, Joonho Lee, Diptarka Hait, C William McCurdy, Martin Head-Gordon

J Chem Phys· July 2021

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Coupled nuclear-electronic decay dynamics of O inner valence excited states revealed by attosecond XUV wave-mixing spectroscopy.
Yen-Cheng Lin, Ashley P Fidler, Arvinder Sandhu, Robert R Lucchese, C William McCurdy

Faraday Discuss· May 2021

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Selective bond-breaking in formic acid by dissociative electron attachment.
D S Slaughter, Th Weber, A Belkacem, C S Trevisan, R R Lucchese, C W McCurdy

Phys Chem Chem Phys· July 2020

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Ultrafast photodissociation dynamics and nonadiabatic coupling between excited electronic states of methanol probed by time-resolved photoelectron spectroscopy.
Elio G Champenois, Loren Greenman, Niranjan Shivaram, James P Cryan, Kirk A Larsen, C William McCurdy

J Chem Phys· March 2019

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The Connection between Resonances and Bound States in the Presence of a Coulomb Potential.
R R Lucchese, T N Rescigno, C W McCurdy

J Phys Chem A· January 2019

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Resonance signatures in the body-frame valence photoionization of CF.
K A Larsen, C S Trevisan, R R Lucchese, S Heck, W Iskandar, C W McCurdy

Phys Chem Chem Phys· August 2018

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Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering.
Alec F White, Evgeny Epifanovsky, C William McCurdy, Martin Head-Gordon

J Chem Phys· June 2017

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Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules.
Alec F White, Martin Head-Gordon, C William McCurdy

J Chem Phys· January 2017

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Two-Particle Interference of Electron Pairs on a Molecular Level.
M Waitz, D Metz, J Lower, C Schober, M Keiling, C W McCurdy

Phys Rev Lett· August 2016

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Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anions.
Alec F White, C William McCurdy, Martin Head-Gordon

J Chem Phys· August 2015

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Complex basis functions revisited: implementation with applications to carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange approximation.
Alec F White, Martin Head-Gordon, C William McCurdy

J Chem Phys· February 2015

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Fully differential single-photon double ionization of neon and argon.
F L Yip, T N Rescigno, C W McCurdy, F Martín

Phys Rev Lett· April 2013

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Imaging polyatomic molecules in three dimensions using molecular frame photoelectron angular distributions.
J B Williams, C S Trevisan, M S Schöffler, T Jahnke, I Bocharova, C W McCurdy

Phys Rev Lett· June 2012

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A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory.
Daniel S Lambrecht, Kai Brandhorst, William H Miller, C William McCurdy, Martin Head-Gordon

J Phys Chem A· April 2011

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