Full-Potential Linearized Augmented Planewave Method
暂无分享,去创建一个
[1] E. Krasovskii. Accuracy and convergence properties of the extended linear augmented-plane-wave method , 1997 .
[2] S. Blügel,et al. Embedded Green-function approach to the ballistic electron transport through an interface , 2002 .
[3] Hamann,et al. Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W. , 1986, Physical review. B, Condensed matter.
[4] G. Lehmann,et al. On the Numerical Calculation of the Density of States and Related Properties , 1972 .
[5] Singh,et al. Simultaneous solution of diagonalization and self-consistency problems for transition-metal systems. , 1989, Physical review. B, Condensed matter.
[6] R. O. Jones,et al. The density functional formalism, its applications and prospects , 1989 .
[7] Jackson,et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.
[8] A. I. Lichtenstein,et al. Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach , 1997, cond-mat/9707127.
[9] J. C. Slater. Energy Band Calculations by the Augmented Plane Wave Method , 1964 .
[10] USA,et al. First-principles calculations of the electronic structure and spectra of strongly correlated systems: Dynamical mean-field theory , 1997, cond-mat/9704231.
[11] J. Wood,et al. Improved Pauli Hamiltonian for local-potential problems , 1978 .
[12] D. Hamann,et al. Theory and Application for the Scanning Tunneling Microscope , 1983 .
[13] E. Gross,et al. Density-Functional Theory for Time-Dependent Systems , 1984 .
[14] Williams,et al. Augmented-plane-wave forces. , 1990, Physical review. B, Condensed matter.
[15] A. Freeman,et al. Linearized augmented plane-wave method for the electronic band structure of thin films , 1979 .
[16] D. Hamann. Semiconductor Charge Densities with Hard-Core and Soft-Core Pseudopotentials , 1979 .
[17] John C. Slater,et al. Wave Functions in a Periodic Potential , 1937 .
[18] Erich Wimmer,et al. Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O 2 molecule , 1981 .
[19] D. Koelling,et al. Use of energy derivative of the radial solution in an augmented plane wave method: application to copper , 1975 .
[20] Warren E. Pickett,et al. Pseudopotential methods in condensed matter applications , 1989 .
[21] David J. Singh,et al. An alternative way of linearizing the augmented-plane-wave method , 2000 .
[22] Ning,et al. Work function of a transition-metal surface with submonolayer alkali-metal coverage. , 1986, Physical review letters.
[23] Fu,et al. Magnetic anisotropy in low-dimensional ferromagnetic systems: Fe monolayers on Ag(001), Au(001), and Pd(001) substrates. , 1990, Physical review. B, Condensed matter.
[24] K. Burke,et al. Density Functionals: Where Do They Come from, Why Do They Work? , 1996 .
[25] Erich Wimmer,et al. Total-energy all-electron density functional method for bulk solids and surfaces , 1982 .
[26] M. Weinert,et al. Solution of Poisson’s equation: Beyond Ewald‐type methods , 1981 .
[27] Elisabeth Sjöstedt,et al. Efficient linearization of the augmented plane-wave method , 2001 .
[28] R. Dreizler,et al. Density Functional Methods In Physics , 1985 .
[29] A. Freeman,et al. Theory of Surface Electronic Structure , 1985 .
[30] Singh,et al. Ground-state properties of lanthanum: Treatment of extended-core states. , 1991, Physical review. B, Condensed matter.
[31] S. Heinze,et al. Prediction of bias-voltage-dependent corrugation reversal for STM images of bcc (110) surfaces: W(110), Ta(110), and Fe(110) , 1998 .
[32] E. Krasovskii. Augmented-plane-wave approach to scattering of Bloch electrons by an interface , 2004 .
[33] D. Hamann,et al. Comparative LCAO-LAPW study of C1 chemisorption on the Ag(001) surface , 1981 .
[34] E. E. Krasovskii,et al. The extended-LAPW-based k · p method for complex band structure calculations , 1995 .
[35] 和光 信也. T. Loucks: Augmented Plane Wave Method, Frontiers in Physics, Benjamin, 1967, 256頁, 16×23.5cm, 3,000円. , 1967 .
[36] Stefan Blügel,et al. Ab initio Green-function formulation of the transfer matrix: Application to complex band structures , 2002 .
[37] O. Jepson,et al. The electronic structure of h.c.p. Ytterbium , 1993 .
[38] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[39] D. Koelling,et al. A technique for relativistic spin-polarised calculations , 1977 .
[40] Y. Mokrousov,et al. Full-potential linearized augmented plane-wave method for one-dimensional systems : Gold nanowire and iron monowires in a gold tube , 2005 .
[41] A. Zunger,et al. Ground-state electronic properties of diamond in the local-density formalism , 1977 .
[42] H. Stöhr,et al. New Version of the Modified Augmented-Plane-Wave Method , 1970 .
[43] A. Freeman,et al. An efficient step-forward way to solve the Schrödinger eigenvalue equation in self-consistent calculations , 1993 .
[44] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[45] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[46] M. Usuda,et al. All-electron GW calculation based on the LAPW method: Application to wurtzite ZnO , 2002, cond-mat/0202308.
[47] C. D. Gelatt,et al. Cohesive properties of metallic compounds: Augmented-spherical-wave calculations , 1979 .
[48] O. K. Andersen,et al. Linear methods in band theory , 1975 .
[49] Gustav Bihlmayer,et al. Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method , 2004 .
[50] Blöchl,et al. Improved tetrahedron method for Brillouin-zone integrations. , 1994, Physical review. B, Condensed matter.
[51] S. L. Cunningham. Special points in the two-dimensional Brillouin zone , 1974 .
[52] Peter Blaha,et al. Full-potential, linearized augmented plane wave programs for crystalline systems , 1990 .
[53] T. Takeda,et al. The scalar relativistic approximation , 1978 .
[54] Lars Hedin,et al. Explicit local exchange-correlation potentials , 1971 .
[55] Gross,et al. Excitation energies from time-dependent density-functional theory. , 1996, Physical review letters.
[56] J. D. Talman,et al. Optimized effective atomic central potential , 1976 .
[57] Josef Stoer,et al. Numerische Mathematik 1 , 1989 .
[58] David J. Singh. Planewaves, Pseudopotentials, and the LAPW Method , 1993 .
[59] Gauthier,et al. Magnetically driven buckling and stability of ordered surface alloys: Cu(100)c(2 x 2)Mn. , 1993, Physical review letters.
[60] J. Kubler,et al. Linear augmented plane wave method for self-consistent calculations , 1979 .
[61] Improving the efficiency of FP-LAPW calculations , 1999, cond-mat/9902277.
[62] Wei,et al. Local-density-functional calculation of the pressure-induced metallization of BaSe and BaTe. , 1985, Physical review letters.
[63] S. H. Vosko,et al. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis , 1980 .
[64] Wei,et al. Linearized augmented-plane-wave calculation of the electronic structure and total energy of tungsten. , 1985, Physical review. B, Condensed matter.
[65] V. L. Moruzzi,et al. Calculated electronic properties of metals , 1978 .
[66] Marvin L. Cohen,et al. Special Points in the Brillouin Zone , 1973 .
[67] Arthur J Freeman,et al. Total-energy full-potential linearized augmented-plane-wave method for bulk solids: Electronic and structural properties of tungsten , 1984 .
[68] H. Gollisch,et al. Relativistic one-particle equation for electron states of heavy metals , 1978 .
[69] Singh,et al. All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method. , 1991, Physical review. B, Condensed matter.