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Sophya Garashchuk on Muck Rack

Sophya Garashchuk

South Carolina
As seen in: Color Research & Application, Wiley Online Library, Taylor & Francis Online
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Articles

Factorised electron-nuclear dynamics with effective complex potential: on-the-fly implementation for H2+ in a laser field

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By Sophya Garashchuk, Vitaly A. Rassolov, Julian Stetzler
| Taylor & Francis Online
Abstract Conventional theoretical and computational approaches to fully coupled quantum molecular dynamics, i.e. when both the electrons and nuclei are treated as quantum-mechanical particles, are impractical for all but the smallest chemical systems. In this paper we describe the formalism and implementation of the Factorised Electron Nuclear Dynamics (FENDy) with effective complex potential [J. Chem. Theory Comput.
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Assessing the accuracy of quantum dynamics performed in the time-dependent basis representation

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By Sophya Garashchuk, Frank Großmann
| tu-dresden.de
Assessing the accuracy of quantum dynamics performed in the time-dependent basis representation Research output: Contribution to journal › Research article › Contributed › peer-review
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Kinetic Control and Trapping in the Supramolecular Polymerization of m‐Terphenyl Bis‐Urea Macrocycles

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By Faizul Islam, Mark Smith, Sophya Garashchuk, Isabella G. Rushton
| Wiley Online Library Verified
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
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