Search Results - "C. William McCurdy"
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Step-by-step state-selective tracking of fragmentation dynamics of water dications by momentum imaging
Published in Nature communications (01-09-2022)“…The double photoionization of a molecule by one photon ejects two electrons and typically creates an unstable dication. Observing the subsequent fragmentation…”
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Filming enhanced ionization in an ultrafast triatomic slingshot
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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An Orbital Basis Set for Double Photoionization of Atoms and Molecules
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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What will it take to observe processes in 'real time'?
Published in Nature photonics (01-03-2014)“…Even for simple systems, the interpretations of new attosecond measurements are complicated and provide only a glimpse of their potential. Nonetheless, the…”
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Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances
Published in Chemical reviews (01-01-2005)“…Garrett et al review the state of the art in the physical chemistry and chemical physics of electron-initiated processes in aqueous systems and raise critical…”
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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
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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Investigating resonant low-energy electron attachment to formamide: Dynamics of model peptide bond dissociation and other fragmentation channels
Published in Physical review research (27-01-2021)“…We report experimental results on three-dimensional momentum imaging measurements of anions generated via dissociative electron attachment to gaseous…”
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A Kinetic Energy Fitting Metric for Resolution of the Identity Second-Order Møller−Plesset Perturbation Theory
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07-04-2011)“…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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High-spectral-resolution attosecond absorption spectroscopy of autoionization in xenon
Published in Physical review. A, Atomic, molecular, and optical physics (10-02-2014)Get full text
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Attosecond transient absorption explores coupling mechanisms of autoionizing states
Published in 2015 Conference on Lasers and Electro-Optics (CLEO) (01-05-2015)“…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?
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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Complete Photo-Induced Breakup of the H₂ Molecule as a Probe of Molecular Electron Correlation
Published in Science (American Association for the Advancement of Science) (16-12-2005)“…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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Strong Field Ionization of Water II: Electronic and Nuclear Dynamics En Route to Double Ionization
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
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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Variational treatment of electron-polyatomic molecule scattering calculations using adaptive overset grids
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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Dissociative recombination by frame transformation to Siegert pseudostates: A~comparison with a numerically solvable model
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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Optimized pulses for Raman excitation through the continuum: verification using multi-configurational time-dependent Hartree-Fock
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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Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic symmetry dependent lineshapes and laser induced modification
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
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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