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Open Physics
|
2008
|
vol. 6
|
issue 2
356-362
EN
In this paper, using the Exact Quantization Rule, we present approximate analytical solutions of the radial Schrödinger equation with non-zero l values for the Hulthén potential in the frame of an approximation to the centrifugal potential for any l states. The energy levels of all bound states can be easily calculated from the Exact Quantization Rule. Specifically, the normalized analytical wave functions are also obtained. Some energy eigenvalues are numerically calculated and compared with those obtained by other methods such as asymptotic iteration, supersymmetry, numerical integration methods, and the schroedinger Mathematica package.
Open Physics
|
2010
|
vol. 8
|
issue 5
804-810
EN
New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.
3
100%
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.
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