博文
经典TFD模型文献目录
|||
经典TFD模型文献目录
元素周期表中，电子的壳层结构描述的是自由原子。如果原子不是孤立的，电子在原子中究竟如何分布呢？
为了回答这个问题，1926年和1928年Thomas和Fermi独立地提出了一个描述电子在原子中分布的模型，称为TF模型，1930年Dirac将电子交换作用引入到TF模型中，将TF模型发展为TFD模型，被广泛地称为电子的统计理论。1993年，我国“两弹一星”功勋科学家程开甲院士根据经典TFD模型，求解出了TFDC电子密度，并且通过弹性力学将TFDC电子密度应用于材料科学，发展了TFDC模型。
1958年，程开甲院士在物理学报发表了题目为“用Fermi-Thomas 方法计算金属的结合能”[1]的文章，这是程开甲院士发表的第一篇关于TFD模型的论文。此后，程开甲院士就去搞原子弹研究，“他们终于第一次采取合理的TFD模型，计算出了原子弹爆炸时弹心的压力和温度”[2]。
25年后，程开甲院士和他的合作者发表了一系列关于TFD模型的论文，主要有： 1984年在《物理学报》发表了“TF(或TFD)模型中原子的边界势及状态方程”[3]；1991年在《力学进展》发表了“冷压状态方程计算的新方法和材料相图研究”[4]；1993年在《自然科学进展》发表了“TFD模型和余氏理论对材料设计的应用”[5]，在该论文中，程开甲院士提出了“改进的TFD模型”，学术界称为TFDC模型或者程氏理论；1996年在《自然科学进展》（英文版）发表了Theoretical Foundations of Condensed Materials[6],在该论文中，程开甲院士第一次发表了元素周期表中38个元素的电子密度数据，即TFDC电子密度。程开甲院士一直在坚持TFDC电子理论模型的研究，2005年还在《自然科学进展》发表研究论文[7]。
1．程开甲，用Fermi-Thomas方法计算金属的结合能，物理学报，14(2)：16, 1958
2．熊杏林，“两弹一星”功勋科学家—程开甲，北京：国防科技大学出版社，132,2003
3. 程开甲，高占鹏，范启科，TF(或TFD)模型中原子的边界势及状态方程，物理学报， 33（2）：176,1984
4．程开甲，程漱玉，冷压状态方程计算的新方法和材料相图研究，力学进展，1991，
5．程开甲，程漱玉，TFD模型和余氏理论对材料设计的应用，自然科学进展，1993，
6．Cheng Kaijia, Cheng Suyu, Theoretical Foundations of Condensed Materials, Progress in Natural Science, 6(1): 12, 1996
7．程开甲，程漱玉，基于电子理论的断裂机理新探，自然科学进展， 15(12):1528-1529, 2005
关于经典TFD模型的基本文献
著作：
1．Theory of the Inhomogeneous Electron Gas
1983, Edited by S. Lundqvist; Chalmers University of Technolgy, Gotebory, Sweden and N. H. March, University of Oxford, Oxford, England.
2．Electron Density Theory of Atoms and molecules
1992, N. H. March, University of Oxford. Oxford, UK.
3．Electronic Structure of Materials
1993, Adrian P. Sutton, Department of Materials, Oxford University,
Clarendon Press, Oxford.
4．Electron Correlation in Molecules and Condensed Phases
1996, N. H. March, University of Oxford, Oxford, England;
Plenum Press, New York and London.
5．Quantum Theory of Real Materials
1996, Edited by James R. Chelikowsky, University of Minnesota;
Steven G. Louie, University of California at Berkeley,
Kluwer Academic Publishers, Boston, Dordrecht, London.
6. Electron Density and Bonding in Crystals
Principles, Theory and X-ray Diffraction Experiments Solid State Physics and Chemistry; 1996, V. G. Tsirelson and R. P. Ozerov
Mendeleev University of Chemical Technology of Russia, Moscow, Russia.
7. Calculated Electronic Properties of Ordered Alloys: A Handbook
The Elements and Their 3d/3d and 4d/4d alloys
1995, V. L. Moruzzi, Florida Atlantic University, USA;
C. B. Sommers, University de Paris-Sun, France,
World Scientific, Singapore, New Jersey, London, Hong Kong.
8. From Hamiltonians to Phase Diagrams
The Electronic and Statistical-Mechanical Theory of sp-Bonded Metals and Alloys 1987, Jurgen Hafner, Springer-Verlag Berlin Heidelberg New York.
9. Density Functional Theory
1995, Edited by Eberhard K. U. Gross, Institute for Theoretical Physics, Julius Maximilian University, Wurzbury, Germany; Reiner M. Dreizler, Instute for Theoretical Physics, Johann Wolfgang Goethe University Frankfurt am Main, Germany. Plenum Press, New York and London.
10. Electron Theory in Alloy Design
1992, Edited by D. G. Pettifor and A. H. Cottrell.
The Institute of Materials, The Alden Press Ltd, Oxford.
11. Electron Distributions and the Chemical Bond
1982, Edited by Philip Coppens, State University of New York, Buffalo, New York. Michael B. Hall, Texas A & M University College Station, Texas. Plenum Press, New York.
12. Metal Surface Electron Physics
1996, A. Kiejna and K. F. Wojciechowski, University of Wrocyaw, Poland. Alden Press, Oxford.
与经典TFD模型密切相关的论文：
1．Thomas, L. H.
1926, Proc. Camb. Phil. Sco. 23, 542. The calculation of atomic fields.
2．Fermi, E.
1928, Z. Phys. 48, 73.
Eine statistische Methode zur Bestimmung einiger Eigenschaften des Atoms und ihre Anwendung auf die Theories des periodischen Systems der Elemente.
3．Dirac, P. A. M.
1930, Proc. Camb. Phil. Soc. 26, 376.
Note on Exchange Phenomena in the Thomas Atom.
4．Rudolph E. Langer.
1937,Physical Review,Vol.51,No.April.15,669.
On the Connection Formulas and the Solutions of the Wave Equation.
5．Feynman, R. P.
1939, Physics Review, Vol. 56, August, 15, 340.
Force in Molecules.
6．Goeppert,M.M.
1941,Physical Review, Vol.60,Augst,
Rare-Earth and Transuranic Elements.
7. Feynman,R.P., Metropolis,N., and Teller,E.
1949,Physical Review, Vol.75,No.10,
Equation of State of Elements Based on the Generalized Fermi-Thomas Theory.
8．Metropolis, N. and Reitz, J. R.
1951, The Journal of Chemical Physics, Vol. 19, No. 5, 555.
Solutions of the Fermi-Thomas-Dirac Equation
9. Foldy L.L.
1951, Physica Review, Vol.83, No.2, 397.
A Note on Atomic Binding Energies.
10. Gaspar,R.
1952, The journal of Chemical Phyics, Vol.20, No.12,
An Analytical Method for the Approximate Determination of the Eigenfunctions and Engergies of Electrons in Atoms.
11．Dexter,D.L.
1952,Physical Review,Vol.86,No. 5,770.
Scattering of Electrons in Metals by Dislocations.
12．Anderson,H.L,Fermi,E ,Long,E.Aand Nagle,D.E.
1952,Letters to the Editor,936.
Total Cross Sections of Positive Pions in Hydrogen.
13. Jensen, J.H.D. and Luttinger, J.M.
1952, Physical Review, Vol.86,No.6,907.
Angular Momentum Distributions in the Thomas-Fermi Model.
14．Bowers,w.A.
1953,Letters to the Editor,1117.
On an Application of the Fermi-Thomas Method to Molecules.
15. Umeda, K., and Tomishima, Y.
1953, Letters to the Editor,2085.
On the Influence of the Packing on the Atomformfactor Based on the Thomas-Fermi Theory.
16. Glazer, H. and Reiss, H.
1953, The Journal of Chemical Physics, Vol.21, No.5,903.
Application of the Fermi-Thomas Model in Computing the Dipole Monent.
17. Bonet, J.V. and Bushkovitch, A.V.
1953, The Journal of Chemical Physics, Vol.21, No.12,2199.
A calculation of the Diamagnetic and Paramagnetic Susceptibility of N2 by the Statistical Method.
18. Gilvarry, J.J.
1954, Physical Review, Vol.95, No.1,71.
Relativistic Thomas-Fermi Atom Model.
19．Kohn,W and Rostoker,N.
1954,Physical Review,Vol.94,No.5,1111.
Solution of the Schrodinger Equation in Periodic Lattices with an
Application to Metallic lithium.
20. Thomas, I.H.
1954, The Journal of Chemical Physics, Vol.22, No.10,1758.
Table of Statisyical Electron Distributions for Atoms with Degree of Ionization Zero to Four and of the Corresponding Electroststic Potentials.
21. Brinkman, H.C.
1954, Physica XX, 44-48.
Approximate solutions of the Thomas-Fermi Equation for Atoms and Molecules.
22. Lazarus, D.
1954,Physical Review, Vol.93,No.5,973.
Effect of Screening on Solute Diffusion in Metals.
23．Frank O.Ellison and Harrison Shull.
1955,The Journal of Chemical Physics,Vol.23,No.12,2348.
Molecular Calculations.I.LCAO MO Self-Consistent Field Treatment
of the Ground State of H2O.
24. Gilvarry J.J. and Peebles, G.H.
1955, Physical Review, Vol.99, No.2,550.
Solutions of the Temperature-Perturbed Thomas-Fermi Equation.
25. Sheldon, J.W.
1955, Physical Review, Vol.99, No.4,1291.
Use of the Statistical Field Approximation in Molecular Physics.
26. Giazer,H., and Reiss, H.
1955, The Journal of Chemical Physics,Vol.23, No.5,937.
Calculation of the Dipole Moment of the Carbon-Hydrogen Bond in methane by the Thomas-Fermi Method.
27．Alfred,L.C.R and March,N.H.
1956,Physical Review,Vol.103,No.4,877.
Solute Diffusion in Metals.
28. Latter Richard
1956, The Journal of Chemical Physics,Vol.24, No.2,280.
Thomas-Fermi Model of Compressed Atoms.
29．Kompaneets,E.S and Kompaneets,A.S.
1957,Soviet Physics Jetp,Vol.4,No.3,328.
The Self-Consistent Field Equations in an Atom.
30．Edward Teller.
1962,Reviews of Modern Physics,Vol.34,No.4,627.
On the Stability of Molecules in the Thomas-Fermi Theory.
31. Hohenberg,P.
1964, Physical Review, Vol.136,No.3B,864.
Inhomogeneous Electron Gas.
32．Kohn,W and Sham,L.J.
1965,Physical Review, Vol.140,No.4A,A1133.
Self-Consistent Equations Including Exchange and Correlation Effects.
33．Kohn,W and Sham,L.J.
1965,Physical Review,Vol.140,No.4A,A1133.
Self-Consistent Equations Including Exchange and Correlation Effects.
34．Sham,L.J and Kohn,W.
1966,Physical Review,Vol.145,No.2,561.
One-Particle Properties of an Inhomogereneous Interacting Electron Gas.
35. Ashcroroft, N.W. and Langreth,D.C.
1967,Pysical Review, Vol.155, No.3,682.
Compressibility and Binding Energy of the Simple Metals.
36. Balazs,N.L.
1967, Physical review,Vol.156,No.1,42.
Formation of Stable Molecules within the statistical Theory of atoms.
37．Rosen,M.
1968,Physical review,Vol.165,No.2,357.
Elastic Moduli and Ultrasonic Attenuation of Polycrystalline
α-Mn from 4.2-300°K.
38．Roy G.Gordon and Yung Sik Kim.
1972,The Journal of Chemical Physics,Vol.56,No.6,3122.
Theory for the Forces between Closed-Shell Atoms and Molecules.
39. rajagopal A.K. and Callaway, J.
1973,Physical review B,Vol.7,No.1,1912.
Ihomogeneous Electron Gas.
40．Smith,J.R and Ying,S.C and Kohn,W.
1973,Physical Review,Vol.30,No.13,610.
Charge Densities and Binding Energies in Hydrogen Chemisorption.
41．Moruzzi,V.L ,Williams,A.R,and Janak,J.F.
1973,Physical Review B,Vol.8,No.6,2546.
Structure Analysis for Cesiated-Copper Photoemission.
42．Yung Sik Kim and Gordon,R.G.
1974,Physical Review B,Vol.8,No.8,3548.
Theory of binding of ionic crystals:Application to alkali-halide and
alkaline-earth-dihalide crystals.
43．Gunnarsson ,O and Lundqvist,B.I and Wilkins,J.W.
1974,Physical Review,Vol.10,No.4,1319.
Contribution to the cohesive energy of simple metals:Spin-dependent effect.
44. Harris, J. and Jones, R.O.
1974, J. Phys. F: Metal Phys., Vol.4, August,1170.
The surface energy of a bounded electron gas.
45．Lynn,J.W
1974,Physical Review B,Vol.11,No.7,2624.
Temperature dependence of the magnetic excitations in iron.
46．Ying,S.C,Smith,J.R and Khon,W.
1975,Physical Review B,Vol.11,No.4,1483.
Density-functional theory of chemisorption on metal surfaces.
47．Janak,J.F,Williams,A.R,and Moruzzi,V.L.
1975,Physical Review B, Vol.11,No.4,1522.
Self-consistent band theory of the Fermi-surface,optical,and photoemission properties of copper.
48．L.-G.Petersson,R.Melander,D.P.Spears,and S.B.M.Hagstrom.
1976,Physical Review B ,Vol.14,No.9,4177.
Density of ferromagnetic and paramagnetic Ni and Fe studied by photoelectron spectroscopy with 21.2-and 40.8-eV photon energies.
49．Janak,J.F and Williams,A.R.
1976,Physical Review B,Vol.14,No.9,4199.
Giant internal magnetic pressure and compressibility anomalies.
50．Moruzzi,V.L,Williams,A.R and Janak,J.F.
1976,Physical Review B,Vol.15,No.6,2854.
Local density theory of metallic cohesion.
51. Gunnarsson, O.G., Harris, J. and Jones, R.O.
1977, Physical review B, Vol.15,No.6,3027.
Muffin-tin orbitals and the total energy of atomic clusters.
52. Wang, W.P., Parr R.G.
1977,Physical review A, Vol.16,No.3,891.
Statistical atomic models with piecewise exponentially decaying electron densities.
53. Lang N.D. and Williams, A.R.
1978,Physical review B,Vol.18,No.2,616.
Theory of atomic chemisorption on metals.
54．Norskov,J.K and Lang,N.D.
1980,Physical Review,Vol.21,No.6,2131.
Effective-medium theory of chemical binding: Application to chemisorption.
55. Chelikowsky, J.C.
1980, Physical review B, Vol.21, No.8,3074.
“Thomas-Fermi-pseudopotential” approach for caculating the static properties of simple metals.
56. Perdew,J.P.
1980,Physical review B,Vol.21,No.2,869.
Comments on the metal sueface from a simple analytic model.
57．Rose,J.H,John Ferrante and Smith,John R.
1981,Physical Review Letters,Vol.47,No.9,675.
Universal Binding Energy Curves for Metals and Bimetallic Interfaces.
58．Joseph P.Straley
1983,Physical Review B,Vol.28,No.10,5393.
Conductivity near the localization threshold in the high-dimensionality limit.
59．John Ferrante and John R.Smith and James H.Rose.
1983,Physical Review Letters,Vol.50,No.18,1385.
Diatomic Molecules and Metallic Adhesion,Cohesion,andChemisorption:
A Single Binding-Energy Relation.
60. Elliott H. L.
1981, Reviews of Modern Physics, Vol.53,No.4,602.
Thomas-Fermi and related theories of atoms and molecules.
61. Larry Spruch,
1991, Reviews of Modern Physics, Vol.63,No.1,151
Pedagogic notes on Thomas-Fermi theory(and on some improvements): Atoms, stars, and the stability of bulk matter.
62. Ramiro Pino
1998,PHYSICAL REVIEW B 15 AUGUST,VOLUME 58,NUMBER 8,
Exact solution of the Thomas-Fermi two-dimensional N-electron parabolic quantum dot,
63. Ramiro Pino
2000,Eur. Phys. J. B 13, 723-730.
Two-dimensional Thomas-Fermi parabolic quantum dot in a weak magnetic field,
科学网征集科技与人文经典文献
https://wap.sciencenet.cn/blog-2321-9207.html
上一篇：诺贝尔奖：苗和草，原创和跟踪
下一篇：密度泛函理论38页经典文献（2003年）
