Estimation of Morse Potential Parameters from Critical Constants and Acentric Factor

1968 ◽  
Vol 7 (4) ◽  
pp. 622-625 ◽  
Author(s):  
D. D. Konowalow ◽  
S. L. Guberman
1963 ◽  
Vol 6 (12) ◽  
pp. 1774 ◽  
Author(s):  
O. P. Bahethi ◽  
S. C. Saxena

1975 ◽  
Vol 39 (5) ◽  
pp. 1162-1165
Author(s):  
Upendra Singh ◽  
M. N. Sharma

2007 ◽  
Vol 14 (1) ◽  
pp. 7 ◽  
Author(s):  
NGUYEN VAN HUNG

Analytical expressions for the Morse potential parameters for fcc, bcc and hcp crystals have been developed. They contain the energy of sublimation, the compressibility and the lattice constant. Numerical results for Cu (fcc), W (bcc) and Zn (hcp) agree well with the measured values. Debye-Waller factors in X-ray absorption fine structure (XAFS) and equation of state computed using the obtained Morse potential parameters agree well with the experimental results.


2021 ◽  
Author(s):  
Nguyen Ba Duc ◽  
Trinh Phi Hiep ◽  
Nguyen Thu

Abstract A new method for estimating Morse potential's effective parameters has developed using the sublimation energy, the compressibility, and the lattice constant in expanded X-ray absorption fine structure spectra. Application the received parameters of Morse potential to calculate the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, and local force constant for diamond-type structure crystals such as silicon and germanium crystals, and face-centered cubic crystals as copper, silver. Numerical results agree well with the experimental values and other theories.


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