Chemical reaction computations using the quantum-potential method.

DOI10.1023/A:1003688429166MaRDI QIDQ1591673zbMATH OpenOpenAlexFDO

Authors R. Smith, T. M. Rocha Filho, J. J. Soares Neto

Publication date 7 January 2001

Published in International Journal of Theoretical Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1023/a:1003688429166

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

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(7)

• Studies in rapid kinetic reactions by quasi-quantum mechanical, conservative methodology
• Approximate quantum trajectory dynamics in imaginary and real time; calculation of reaction rate constants
• Computer simulation of three-body quantum mechanics in quasi-classical limit using collective behavior method
• Multi dimensional quantum dynamics of chemical reaction processes
• Time Scales in Molecular Reaction Dynamics
• LiH destruction by protons: a comparison of quantum models for an important astrochemical process
• Computational Science and Its Applications – ICCSA 2004

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