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A quantum theory of chemical processes and reaction rates based on diabatic electronic functions coupled in an external field

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Publication:2485899
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DOI10.1007/S10910-004-1105-0zbMath1070.81122OpenAlexW1982099368MaRDI QIDQ2485899

O. Tapia, Gustavo A. Arteca

Publication date: 5 August 2005

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-004-1105-0


zbMATH Keywords

external fieldsreaction ratesquantum statestransition statesdiabatic functions


Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Molecular physics (81V55)


Related Items (1)

Constructing quantum mechanical models starting from diabatic schemes: quantum states for simulations bond break/formation. I: Feshbach-like quantum states and electronuclear wave functions




Cites Work

  • Unnamed Item
  • Comparison between a generalized electronic diabatic approach and the Born-Oppenheimer separation scheme in inertial frames




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