✦ LIBER ✦
Calculation of Diagonal Force Constants by the Stepwise Coupling Method: M.P.E.M. (Matrix Polynomial Expansion Method)
✍ Scribed by Alain J. P. Alix; Benjamin van Der Veken; Sadao Isotani; Michel Manfait
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 427 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0037-9646
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✦ Synopsis
Abstract
The calculation of an approximate Simple symmetry Valence Force Field including determination of diagonal symmetry valence force constants is achieved by using an iterative process derived from the Stepwise Coupling Method (SCM) in the form of the Matrix Polynomial Expansion Method (M.P.E.M.) of Alix. The discussion on the method itself and the comparison with similar methods such as the Eigen‐Vector Method (EVM) is given in detail. Numerical examples are given to illustrate the effectiveness of the method.