Výsledky vyhledávání - "Meltzer, Thomas"

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Efficient configuration-interaction models for photoionization of molecular dimers

Autor: 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 configuration-interaction models including the Occupation-Restricted Multiple Active Space (ORMAS) appr

Externí odkaz: http://arxiv.org/abs/2404.01460

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UKRmol-scripts: a Perl-based system for the automated operation of the photoionization and electron/positron scattering suite UKRmol+

Autor: Houfek, Karel, Benda, Jakub, Mašín, Zdeněk, Harvey, Alex, Meltzer, Thomas, Graves, Vincent, Gorfinkiel, Jimena D.

UKRmol-scripts is a set of Perl scripts to automatically run the UKRmol+ codes, a complex software suite based on the R-matrix method to calculate fixed-nuclei photoionization and electron- and positron-scattering for polyatomic molecules. Starting w

Externí odkaz: http://arxiv.org/abs/2304.11019

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ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)

Autor: Yurchenko, Sergei N., Tennyson, Jonathan, Syme, Anna-Maree, Adam, Ahmad Y., Clark, Victoria H. J., Cooper, Bridgette, Dobney, C. Pria, Donnelly, Shaun T. E., Gorman, Maire N., Lynas-Gray, Anthony E., Meltzer, Thomas, Owens, Alec, Qu, Qianwei, Semenov, Mikhail, Somogyi, Wilfrid, Upadhyay, Apoorva, Wright, Samuel, Trujillo, Juan C. Zapata

A new silicon monoxide ($^{28}$Si$^{16}$O) line list covering infrared, visible and ultraviolet regions called SiOUVenIR is presented. This line list extends the infrared EBJT ExoMol line list by including vibronic transitions to the $A\,{}^{1}\Pi$ a

Externí odkaz: http://arxiv.org/abs/2111.04859

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