Search Results - "Harvey, Alex G."

Calculated photoionization cross sections using Quantemol-N by Brigg, Will J., Harvey, Alex G., Dzarasova, Anna, Mohr, Sebastian, Brambila, Danilo S., Morales, Felipe, Smirnova, Olga, Tennyson, Jonathan

“…Quantemol-N is an expert system designed to run the widely used UK Molecular R-matrix code (UKRMol). Originally designed to consider electron-molecule…”
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Electron re-scattering from H2 and CO2 using R-matrix techniques by Harvey, Alex G., Tennyson, Jonathan

“…The R-matrix method is being used to investigate electron (re-)scattering for the H 2 and CO 2 systems. This is being done computationally using the UK…”
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UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method by Mašín, Zdeněk, Benda, Jakub, Gorfinkiel, Jimena D., Harvey, Alex G., Tennyson, Jonathan

“…UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule scattering code. Key features of the implementation are the use of…”
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Electron re-scattering from H 2 and CO 2 using R-matrix techniques by Harvey, Alex G., Tennyson, Jonathan

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Electron re-scattering from H2 and CO2 using R-matrix techniques : Ultrafast Dynamic Imaging of Matter by HARVEY, Alex G, TENNYSON, Jonathan

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Efficient configuration-interaction models for photoionization of molecular dimers by Ruivo, Julio C, Meltzer, Thomas, Harvey, Alex G, Benda, Jakub, Mašín, Zdeněk

“…We present R-matrix calculations of photoionization of molecular monomers and dimers, focusing on ammonia (NH3) and formic acid (HCOOH), utilizing…”
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General theory of photoexcitation induced photoelectron circular dichroism by Harvey, Alex G, Mašín, Zdeněk, Smirnova, Olga

“…The photoionization of chiral molecules prepared in a coherent superposition of excited states can give access to the underlying chiral coherent dynamics in a…”
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UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method by Mašín, Zdeněk, Benda, Jakub, Gorfinkiel, Jimena D, Harvey, Alex G, Tennyson, Jonathan

“…UKRmol+ is a new implementation of the UK R-matrix electron-molecule scattering code. Key features of the implementation are the use of quantum chemistry codes…”
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Electron correlations and pre-collision in the re-collision picture of high harmonic generation by Mašín, Zdeněk, Harvey, Alex G, Spanner, Michael, Patchkovskii, Serguei, Ivanov, Misha, Smirnova, Olga

“…We discuss the seminal three-step model and the recollision picture in the context of high harmonic generation in molecules. In particular, we stress the…”
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Photoelectron angular distributions from aligned molecules using the R-matrix method by Harvey, Alex G, Brambila, Danilo S, Morales, Felipe, Smirnova, Olga

“…We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination…”
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CDENPROP: Transition matrix elements involving continuum states by Harvey, Alex G, Brambila, Danilo S, Morales, Felipe, Smirnova, Olga

“…Transition matrix elements between electronic states where one electron can be in the continuum are required for a wide range of applications of the molecular…”
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