Application of extended Rydberg parameters in general Morse potential functions

DOI10.1007/S10910-010-9799-7zbMATH Open1213.92080OpenAlexW2026408058MaRDI QIDQ537982FDOQ537982

Teik-Cheng Lim

Publication date: 23 May 2011

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

Full work available at URL: https://doi.org/10.1007/s10910-010-9799-7

Recommendations

• Improved long range relationship between parameters of the Morse and Rydberg potential functions
• Correlation among parameters of the extended-Rydberg potential energy function
• Modification of Morse potential in conventional force fields for applying FPDP parameters
• Application of extended-Rydberg parameters for extracting the 2-body portion of Kaxiras-Pandey function
• A novel identification of the extended-Rydberg potential energy function

zbMATH Keywords

bond energycovalent bond

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Alternative scaling factor between Lennard-Jones and Exponential-6 potential energy functions

Cited In (3)

• Correlation among parameters of the extended-Rydberg potential energy function
• Relationship between Morse and Murrell-Mottram potentials at long range
• On a time-dependent extension of the Morse potential

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