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Original Articles

Electronic charge densities and the recursion method

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Pages 95-100 | Received 04 Aug 1983, Accepted 16 Aug 1983, Published online: 01 Dec 2006

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A.T. Paxton. (1988) Phase stability in silicon from the point of view of the bond order. Philosophical Magazine B 58:6, pages 603-621.
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Valentin N. Popov. (2020) Theoretical evidence of a significant modification of the electronic structure of double-walled carbon nanotubes due to the interlayer interaction. Carbon 170, pages 30-36.
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Ralf Drautz, Dewey A. Murdick, Duc Nguyen-Manh, Xiaowang Zhou, Haydn N. G. Wadley & David G. Pettifor. (2005) Analytic bond-order potential for predicting structural trends across the -valent elements . Physical Review B 72:14.
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D.G. Pettifor & I.I. Oleynik. (2004) Interatomic bond-order potentials and structural prediction. Progress in Materials Science 49:3-4, pages 285-312.
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T. Ozaki & K. Terakura. (2001) Convergent recursive method for ab initio tight-binding calculations . Physical Review B 64:19.
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T. Ozaki. (2001) Efficient recursion method for inverting an overlap matrix. Physical Review B 64:19.
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M. Takata, E. Nishibori & M. Sakata. (2001) Charge density studies utilizing powder diffraction and MEM. Exploring of high Tc superconductors, C 60 superconductors and manganites . Zeitschrift für Kristallographie - Crystalline Materials 216:2, pages 71-86.
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D. G. Pettifor & I. I. Oleinik. (2000) Bounded Analytic Bond-Order Potentials for and Bonds . Physical Review Letters 84:18, pages 4124-4127.
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T. Ozaki, M. Aoki & D. G. Pettifor. (2000) Block bond-order potential as a convergent moments-based method. Physical Review B 61:12, pages 7972-7988.
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H.Chuan Kang. (2000) Correlation between bond distortion and the band-tail electronic density of states in amorphous silicon: a tight-binding recursion study. Journal of Non-Crystalline Solids 261:1-3, pages 169-180.
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D. G. Pettifor & I. I. Oleinik. (1999) Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory. Physical Review B 59:13, pages 8487-8499.
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C M Goringe, D R Bowler & E Hernández. (1997) Tight-binding modelling of materials. Reports on Progress in Physics 60:12, pages 1447-1512.
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A. P. Horsfield, A. M. Bratkovsky, D. G. Pettifor & M. Aoki. (1996) Bond-order potential and cluster recursion for the description of chemical bonds: Efficient real-space methods for tight-binding molecular dynamics. Physical Review B 53:3, pages 1656-1666.
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G. Litak, P. Miller & B.L. Györffy. (1995) A recursion method for solving the Bogoliubov equations for inhomogeneous superconductors. Physica C: Superconductivity 251:3-4, pages 263-273.
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Masato Aoki. (1993) Rapidly convergent bond order expansion for atomistic simulations. Physical Review Letters 71:23, pages 3842-3845.
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J Inoue, A Okada & Y Ohta. (1993) A block recursion method with complex wave vectors. Journal of Physics: Condensed Matter 5:39, pages L465-L468.
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Z. W. Lu, Alex Zunger & Moshe Deutsch. (1993) Electronic charge distribution in crystalline diamond, silicon, and germanium. Physical Review B 47:15, pages 9385-9410.
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A. E. Carlsson. (1991) Angular forces in group-VI transition metals: Application to W(100). Physical Review B 44:13, pages 6590-6597.
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T.J. Godin & Roger Haydock. (1991) The Block recursion library: accurate calculation of resolvent submatrices using the block recursion method. Computer Physics Communications 64:1, pages 123-130.
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A. E. Carlsson, P. A. Fedders & Charles W. Myles. (1990) Generalized embedded-atom format for semiconductors. Physical Review B 41:2, pages 1247-1250.
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A. E. Carlsson. 1990. Many-Atom Interactions in Solids. Many-Atom Interactions in Solids 257 263 .
A.T. Paxton & A.P. Sutton. (1989) A tight-binding study of grain boundaries in silicon. Acta Metallurgica 37:7, pages 1693-1715.
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C.M.M. Nex. (1989) The block Lanczos algorithm and the calculation of matrix resolvents. Computer Physics Communications 53:1-3, pages 141-146.
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M. W. Finnis. 1989. Atomistic Simulation of Materials. Atomistic Simulation of Materials 369 380 .
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S Glanville, A T Paxton & M W Finnis. (1988) A comparison of methods for calculating tight-binding bond energies. Journal of Physics F: Metal Physics 18:4, pages 693-718.
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A T Paxton, A P Sutton & C M M Nex. (1987) Structural stability of silicon in tight-binding models. Journal of Physics C: Solid State Physics 20:14, pages L263-L269.
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J Inoue & Y Ohta. (1987) Orbital symmetrisation of the recursion method. Journal of Physics C: Solid State Physics 20:13, pages 1947-1964.
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R. Jones. 1987. The Recursion Method and Its Applications. The Recursion Method and Its Applications 132 137 .
Zheng Zhao-bo & Lee Jin-ling. (1986) Recursion method for electron and phonon spectra of Si with stacking faults. Journal of Physics C: Solid State Physics 19:34, pages 6739-6750.
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Giorgio Moro. (1986) Non-orthogonal basis functions in the solution of diffusional problems. Chemical Physics 106:1, pages 89-101.
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