Thomas-Fermi theory is an approximate method, which is widely used to describe the properties of matter at various hierarchical levels (atomic nucleus, atom, molecule, solid, etc.). Special development achieved using Thomas-Fermi theory to the theory of extreme states of matter appearing under high pressures, high temperatures or strong external fields. Relevant sections of physics and related sciences (astrophysics, quantum chemistry, a number of applied sciences) determine the scope of Thomas-Fermi theory. Popularity Thomas-Fermi theory is related to its relative simplicity, clarity and versatility. The latter means that result of the calculation by Thomas-Fermi theory applies immediately to all chemical elements: the transition from element to element is as simple scale transformation. These features make it highly convenient tool for qualitative and, in many cases, quantitative analysis.
Published in | American Journal of Quantum Chemistry and Molecular Spectroscopy (Volume 1, Issue 1) |
DOI | 10.11648/j.ajqcms.20170101.11 |
Page(s) | 1-6 |
Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
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Copyright © The Author(s), 2016. Published by Science Publishing Group |
Quantum Mechanics, Ab-initio Calculations, Thomas-Fermi Theory, Material Science, Temperature and Pressure Environment, Supercomputer Calculations, Nanostructures, Ab-initio Molecular Dynamics, Numerical Methods
[1] | Kirzhnits, D. A.; Lozovik, Y. E.; Shpatakovskaya, G. V. Sov. Phys. Usp. 1975, 18, 649. |
[2] | Dirac, P. Proc. Cambr. Philos. Soc. 1930, 26, 376. |
[3] | Thomas, L. Proc. Cambr. Philos. Soc. 1927, 23, 542. |
[4] | Fermi, E. Rend. Accad. Naz. Lincei 1927, 6, 602. |
[5] | Barnes, J. F. Quantum- and correlation-corrected Thomas-Fermi-Dirac equation. Phys. Rev. 140, 721-726 (1965). |
[6] | Barnes, J. F. Los Alamos Scientific Laboratory of the University of California, 1965. |
[7] | Karpov, V. Y.; Shpatakovskaya, G. V. Journal of Experimental and Theoretical Physics Letters 2013, 98, 348-353. |
[8] | Shpatakovskaya, G. V. Journal Physics-Uspekhi. 2012, 55, 429-464. |
[9] | H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188, 1976. |
[10] | F. Birch, J. Geophys. Res. 83, 1257, 1978. |
APA Style
Sergey Seriy. (2016). Modern Ab-initio Calculations Based on Tomas-Fermi-Dirac Theory with High-Pressure Environment. American Journal of Quantum Chemistry and Molecular Spectroscopy, 1(1), 1-6. https://doi.org/10.11648/j.ajqcms.20170101.11
ACS Style
Sergey Seriy. Modern Ab-initio Calculations Based on Tomas-Fermi-Dirac Theory with High-Pressure Environment. Am. J. Quantum Chem. Mol. Spectrosc. 2016, 1(1), 1-6. doi: 10.11648/j.ajqcms.20170101.11
@article{10.11648/j.ajqcms.20170101.11, author = {Sergey Seriy}, title = {Modern Ab-initio Calculations Based on Tomas-Fermi-Dirac Theory with High-Pressure Environment}, journal = {American Journal of Quantum Chemistry and Molecular Spectroscopy}, volume = {1}, number = {1}, pages = {1-6}, doi = {10.11648/j.ajqcms.20170101.11}, url = {https://doi.org/10.11648/j.ajqcms.20170101.11}, eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajqcms.20170101.11}, abstract = {Thomas-Fermi theory is an approximate method, which is widely used to describe the properties of matter at various hierarchical levels (atomic nucleus, atom, molecule, solid, etc.). Special development achieved using Thomas-Fermi theory to the theory of extreme states of matter appearing under high pressures, high temperatures or strong external fields. Relevant sections of physics and related sciences (astrophysics, quantum chemistry, a number of applied sciences) determine the scope of Thomas-Fermi theory. Popularity Thomas-Fermi theory is related to its relative simplicity, clarity and versatility. The latter means that result of the calculation by Thomas-Fermi theory applies immediately to all chemical elements: the transition from element to element is as simple scale transformation. These features make it highly convenient tool for qualitative and, in many cases, quantitative analysis.}, year = {2016} }
TY - JOUR T1 - Modern Ab-initio Calculations Based on Tomas-Fermi-Dirac Theory with High-Pressure Environment AU - Sergey Seriy Y1 - 2016/12/21 PY - 2016 N1 - https://doi.org/10.11648/j.ajqcms.20170101.11 DO - 10.11648/j.ajqcms.20170101.11 T2 - American Journal of Quantum Chemistry and Molecular Spectroscopy JF - American Journal of Quantum Chemistry and Molecular Spectroscopy JO - American Journal of Quantum Chemistry and Molecular Spectroscopy SP - 1 EP - 6 PB - Science Publishing Group SN - 2994-7308 UR - https://doi.org/10.11648/j.ajqcms.20170101.11 AB - Thomas-Fermi theory is an approximate method, which is widely used to describe the properties of matter at various hierarchical levels (atomic nucleus, atom, molecule, solid, etc.). Special development achieved using Thomas-Fermi theory to the theory of extreme states of matter appearing under high pressures, high temperatures or strong external fields. Relevant sections of physics and related sciences (astrophysics, quantum chemistry, a number of applied sciences) determine the scope of Thomas-Fermi theory. Popularity Thomas-Fermi theory is related to its relative simplicity, clarity and versatility. The latter means that result of the calculation by Thomas-Fermi theory applies immediately to all chemical elements: the transition from element to element is as simple scale transformation. These features make it highly convenient tool for qualitative and, in many cases, quantitative analysis. VL - 1 IS - 1 ER -