Search Results - "C. William McCurdy"

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    Filming enhanced ionization in an ultrafast triatomic slingshot by Howard, Andrew J., Britton, Mathew, Streeter, Zachary L., Cheng, Chuan, Forbes, Ruaridh, Reynolds, Joshua L., Allum, Felix, McCracken, Gregory A., Gabalski, Ian, Lucchese, Robert R., McCurdy, C. William, Weinacht, Thomas, Bucksbaum, Philip H.

    Published in Communications chemistry (27-04-2023)
    “…Filming atomic motion within molecules is an active pursuit of molecular physics and quantum chemistry. A promising method is laser-induced Coulomb Explosion…”
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    Journal Article
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    An Orbital Basis Set for Double Photoionization of Atoms and Molecules by Bello, Roger Y., Yip, Frank L., Streeter, Zachary, Lucchese, Robert, McCurdy, C. William

    Published in Journal of chemical theory and computation (22-10-2024)
    “…The ab initio theoretical treatment of one-photon double photoionization processes has been limited to atoms and diatomic molecules by the challenges posed by…”
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    Journal Article
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    Correlated variational treatment of ionization coupled to nuclear motion: Ultrafast pump and ionizing probe of electronic and nuclear dynamics in LiH by Bello, Roger Y., Lucchese, Robert R., Rescigno, Thomas N., McCurdy, C. William

    Published in Physical review research (10-03-2021)
    “…We demonstrate a theoretical treatment of dissociative single ionization of the LiH molecule using two-color UV-UV pulse sequences that makes use of a highly…”
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    Journal Article
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    A Kinetic Energy Fitting Metric for Resolution of the Identity Second-Order Møller−Plesset Perturbation Theory by Lambrecht, Daniel S, Brandhorst, Kai, Miller, William H, McCurdy, C. William, Head-Gordon, Martin

    “…A kinetic-energy-based fitting metric for application in the context of resolution of the identity second-order Møller−Plesset perturbation theory is…”
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    Journal Article
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    Attosecond transient absorption explores coupling mechanisms of autoionizing states by Bernhardt, Birgitta, Xuan Li, Beck, Annelise R., Warrick, Erika R., Haxton, Daniel J., McCurdy, C. William, Neumark, Daniel M., Leone, Stephen R.

    “…Attosecond transient absorption spectroscopy of highly excited states allows investigating the dynamics of both the decay and the light induced coupling…”
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    Conference Proceeding
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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? by Cunha, Leonardo A, Lee, Joonho, Hait, Diptarka, McCurdy, C. William, Head-Gordon, Martin

    Published 08-06-2021
    “…J. Chem. Phys. 155, 014309 (2021) L\"owdin's symmetry dilemma is an ubiquitous issue in approximate quantum chemistry. In the context of Hartree-Fock (HF)…”
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    Journal Article
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    Complete Photo-Induced Breakup of the H₂ Molecule as a Probe of Molecular Electron Correlation by Vanroose, Wim, Martin, Fernando, Rescigno, Thomas N, McCurdy, C. William

    “…Despite decades of progress in quantum mechanics, electron correlation effects are still only partially understood. Experiments in which both electrons are…”
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    Journal Article
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    Strong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization by Cheng, Chuan, Streeter, Zachary L, Howard, Andrew J, Spanner, Michael, Lucchese, Robert R, McCurdy, C. William, Weinacht, Thomas, Bucksbaum, Philip H, Forbes, Ruaridh

    Published 11-05-2021
    “…Phys. Rev. A 104, 023108 (2021) We investigate the role of nuclear motion and strong-field-induced electronic couplings during the double ionization of…”
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    Investigating resonant low-energy electron attachment to formamide: dynamics of model peptide bond dissociation and other fragmentation channels by Panelli, Guglielmo, Moradmand, Ali, Griffin, Brandon, Swanson, Kyle, Weber, Thorsten, Rescigno, Thomas N, McCurdy, C. William, Slaughter, Daniel S, Williams, Joshua B

    Published 26-11-2020
    “…Phys. Rev. Research 3, 013082 (2021) We report experimental results on three-dimensional momentum imaging measurements of anions generated via dissociative…”
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    Journal Article
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    Variational treatment of electron-polyatomic molecule scattering calculations using adaptive overset grids by Greenman, Loren, Lucchese, Robert R, McCurdy, C. William

    Published 11-08-2017
    “…Phys. Rev. A 96, 052706 (2017) The Complex Kohn variational method for electron-polyatomic molecule scattering is formulated using an overset grid…”
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    Journal Article
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    Dissociative recombination by frame transformation to Siegert pseudostates: A~comparison with a numerically solvable model by Hvizdoš, Dávid, Váňa, Martin, Houfek, Karel, Greene, Chris H, Rescigno, Thomas N, McCurdy, C. William, Čurík, Roman

    Published 30-10-2017
    “…Phys. Rev. A 97, 022704 (2018) We present a simple two-dimensional model of the indirect dissociative recombination process. The model has one electronic and…”
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    Journal Article
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    Optimized pulses for Raman excitation through the continuum: verification using multi-configurational time-dependent Hartree-Fock by Greenman, Loren, Whaley, K. Birgitta, Haxton, Daniel J, McCurdy, C. William

    Published 28-12-2016
    “…Phys. Rev. A 96, 013411 (2017) We have verified a mechanism for Raman excitation of atoms through continuum levels previously obtained by quantum optimal…”
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    Journal Article
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    Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic symmetry dependent lineshapes and laser induced modification by Liao, Chen-Ting, Li, Xuan, Haxton, Daniel J, Rescigno, Thomas N, Lucchese, Robert R, McCurdy, C. William, Sandhu, Arvinder

    Published 31-03-2017
    “…The dynamics of autoionizing Rydberg states of oxygen are studied using attosecond transient absorption technique, where extreme ultraviolet (XUV) initiates…”
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    Construction of complex STO-NG basis sets by the method of least squares and their applications by Matsuzaki, Rei, Asai, Shigeko, McCurdy, C. William, Yabushita, Satoshi

    Published in Theoretical chemistry accounts (01-09-2014)
    “…Electronic resonance state energies and photoionization cross sections of atoms and molecules are calculated with the complex basis function method by using…”
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    Journal Article