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Journal
2009 | 7 | 1 | 193-197
Article title

Relations between Varshni and Morse potential energy parameters

Content
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Languages of publication
EN
Abstracts
EN
A set of relationships between the Morse and Varshni potential functions for describing covalent bondstretching energy has been developed by imposing equal force constant and equal energy integral. In view of the extensive adoption of Morse function in molecular force fields, this paper suggests two sets of parameter conversions from Varshni to Morse. The parameter conversion based on equal force constant is applicable for small change in bond length, while the parameter conversion based on equal energy integral is more applicable for significant bond-stretching. Plotted results reveal that the Varshni potential function is more suitable for describing hard bonds rather than soft bonds.
Publisher

Journal
Year
Volume
7
Issue
1
Pages
193-197
Physical description
Dates
published
1 - 3 - 2009
online
8 - 1 - 2009
Contributors
  • ECE Department, Ngee Ann Polytechnic, Singapore, Singapore
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-008-0122-1
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