Self-consistently determined properties of solids without band-structure calculations
作者： Pietro Cortona
关键词:
摘要: … This approach is based on the second theorem of Hohenberg and Kohn and allows one to … time, the band structure of the system. The method is easy to implement, is self-consistent, …
harvard.edu
sci-hub.se 
researchgate.net 参考文章(20)
Charles Kittel, Introduction to solid state physics ,(1953)
C. Eaborn, Landolt-Börnstein. Numerical Data and Functional Relationships in Science and Technology. New Series (Ed. in Chief, K.-H. Hellwege). Group III, Crystal and Solid State Physics. Vol. 7 (Eds. K.-H. Hellwege and A.M. Hellwege). Crystal Structure Data of Inorganic Compounds; by W. Pies and A. Weiss, Part a, Key Elements F, Cl, Br, I(VII Main Group): Halides and Complex Halides, Part g. References for III/7. Journal of Organometallic Chemistry. ,vol. 73, ,(1974) , 10.1016/S0022-328X(00)80398-8
Robert Zannetti, Landolt-bornstein, new series Inorganica Chimica Acta. ,vol. 11, pp. L14- ,(1974) , 10.1016/S0020-1693(00)93673-9
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864
W. Kohn, L. J. Sham, Self-Consistent Equations Including Exchange and Correlation Effects Physical Review. ,vol. 140, pp. 1133- 1142 ,(1965) , 10.1103/PHYSREV.140.A1133
J. F. Janak, Proof that ∂ E ∂ n i = ε in density-functional theory Physical Review B. ,vol. 18, pp. 7165- 7168 ,(1978) , 10.1103/PHYSREVB.18.7165
J. P. Perdew, Alex Zunger, Self-interaction correction to density-functional approximations for many-electron systems Physical Review B. ,vol. 23, pp. 5048- 5079 ,(1981) , 10.1103/PHYSREVB.23.5048
D. M. Ceperley, B. J. Alder, Ground state of the electron gas by a stochastic method Physical Review Letters. ,vol. 45, pp. 566- 569 ,(1980) , 10.1103/PHYSREVLETT.45.566
AR Williams, J Kübler, CD Gelatt Jr, None, Cohesive properties of metallic compounds: Augmented-spherical-wave calculations Physical Review B. ,vol. 19, pp. 6094- 6118 ,(1979) , 10.1103/PHYSREVB.19.6094
Wanda Andreoni, K. Maschke, M. Schlüter, Ab initiopseudopotential description of cohesion in NaCl Physical Review B. ,vol. 26, pp. 2314- 2316 ,(1982) , 10.1103/PHYSREVB.26.2314