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A Comparative Investigation of Complex Conjugate Eigenvalues of Generalized Morse and Classical Lennard-Jones Potential for Metal Atoms
- Source :
- Nanoscience & Nanotechnology-Asia. 10:356-363
- Publication Year :
- 2020
- Publisher :
- Bentham Science Publishers Ltd., 2020.
-
Abstract
- Background: The knowledge of parameter estimation for interatomic potentials is useful in the computation of the vibrational structure of van der Waals molecules. Methods: On the estimation of the Generalized Morse and Classical Lennard-Jones potential energy functions, complex conjugates eigenvalues may be obtained. Different approaches can be used to solve this resulting problem. A method that uses the objective least squares function method to estimate parameters of the interatomic potentials is employed. Results: Numerical simulation of the systems using metal atoms yields complex conjugates eigenvalues at some initial point. Conclusion: Other approaches of solving the complex conjugates eigenvalues problem are discussed comprehensively.
- Subjects :
- Physics
Complex conjugate
General Engineering
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Morse code
01 natural sciences
0104 chemical sciences
law.invention
Metal
Lennard-Jones potential
law
Quantum mechanics
visual_art
visual_art.visual_art_medium
General Materials Science
0210 nano-technology
Eigenvalues and eigenvectors
Subjects
Details
- ISSN :
- 22106812
- Volume :
- 10
- Database :
- OpenAIRE
- Journal :
- Nanoscience & Nanotechnology-Asia
- Accession number :
- edsair.doi...........c1fb2949b332981150b640bce41bc031