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31 Oct 2002: Johns Hopkins University Press, Baltimore, 1996). 24.

31 Oct 2002: Next: Results of the calculations Up: First-principles density-functional calculations using Previous: Origin of the basis.. Density-functional calculations. The Kohn-Sham (KS) equation for an. -electron system is[. (6). where. are the KS

28 Oct 2002: R. T. Paine and L. G. Sneddon, CHEMTECH 24, 29 (1994).

28 Oct 2002: BN systems. Benzene. 2.24. 1.99. Borazine. PPV. 2.22. 1.98. PVB. PPP.

28 Oct 2002: Springborg M 2001 Chem. Phys. Lett. 339, 389. 24. ... Paine RT and Sneddon LG 1994 CHEMTECH 24 29. 35.

28 Oct 2002: Next: Why boron nitride polymers? Up: Material design from first Previous: Material design from first. Introduction. Recent advances in synthesis and nanofabrication technologies have dramatically broadened the range of materials that can be

31 Oct 2002: The equilibrium bond length for this case differs by 3.34% from CASTEP, as compared to -1.24% for the.

31 Oct 2002: In the same way, the calculation of the total energy gradient with respect to the NGWF expansion coefficients of equation (24) can be calculated in the FFT box provided we use ... Therefore all we have to do is to substitute. of equation (24) by.

31 Oct 2002: 24). where. is the weight associated with each grid point. Here a contravariant-to-covariant tensor correction is needed when this gradient is used to calculate the search direction during a ... restricted to its spherical region. For this reason in

31 Oct 2002: J. Quantum Chem. 65, 453 (1997). 24.

31 Oct 2002: Next: Charge density and total Up: Nonorthogonal generalized Wannier function Previous: Nonorthogonal generalized Wannier function. Introduction. The pseudopotential plane-wave method for density-functional theory (DFT) calculations has been

29 Oct 2002: 24). where. Similarly, we define a supplementary operator,. , that performs the same task, but for the fine grid representation:.

29 Oct 2002: Next: About this document. Up: Total-energy calculations on a Previous: Basis for the fine. Bibliography. Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., and Joannopolous, J. D.,. Rev. Mod. Phys. 64 (1992) 1045. Kohn, W. and Sham, L. J.,.

29 Oct 2002: Our implementation follows the simplified version of Millam and Scuseria [24].

24 Jan 2002: f̃(ω) =. dt f(t)eiωt ; f(t) =1. 2π. dω f̃(ω)eiωt (24). ... G(x,t) = dωdk. (2π2). ei(kxωt). ρω2 iγω Tk2(29). A. (24 January 2002) (TURN OVER.

7 Jan 2002: " $#&%'() ,---./10 243 24567 849 : 9/24: ;<9 0 :=84/ >9?@9 9 2A BCD4E 9 7 9 E FG0 9 7 FHD@9 I@J J J KLE 9 /: 90

11 May 2002: Yun et al. [19]. 1991. Seebeck(e). Open and closed. 0.01. 0.24, 500. ... Flow-type(d). closed. 0.1. 1.2, 440. Ota et al. [24]. 1992. Flow-type.

4 Nov 2002: Slide 24 of 36.

29 May 2002: 6] S. Floyd (1994) TCP and Explicit Congestion Notifica-tion, ACM Computer Communication Review 24, 10–23.www.aciri.org/floyd/ecn.html.

16 Sep 2002: Kendall. 24. The link between kriging and thin plate splines, J.T.

25 Jul 2002: Tests Semantic dementia Alzheimer’s disease Controls (N 24). M SD M SD M SD. ... the PPT (24/49), making a direct comparison be-. tween semantic and episodic memory invalid.

29 Oct 2002: Tests Mean SD Mean SD Mean SD Mean SD. Semantic memoryPicture naming (64) 28.8 22.4 24.9 18.0 63.0 1.0 62.3 1.6Wordpicture matching (64) ... Source 1 0.52 0.37 0.11 0.71 0.21 0.08Source 2 0.27 0.64 0.09 0.24 0.70 0.06Novel foil 0.05

14 Jan 2002: of long-term memories [1,24,25,39,56,60,69,79,85,86]. ... Memories were subsequently scored on a5-point scale as described previously by Graham andHodges [24].

24 Sep 2002: 21r5+. 24. 11r4 10. 21r2. ]P5(cos θ). ). (32). From this we can determine the first function of (18):. ... Wesubstitute r = 1 ξ in (37), expand the solution in powers of , and note that the last term in(24) is O(ξ) for ξ.

24 Sep 2002: 2 (24). Nonlinear Schrödinger equation 5. At best, this describes the phonon branch of the excitation spectrum. ... e.g. see [34]. It is clear from (24) that is negligibly small when , because then!

24 Sep 2002: Appl. Math. 99 1 :1]24 1997. 3. J. WEISS, M. TABOR, and G. ... Phys. 24 3 :522]526 1983. Ž. 4. D. J. BENNEY, Long waves on liquid films, J.

24 Sep 2002: g1 = σ(β 2δ) 4δA4rr′(r2 r′2) σ = 2A2rr′. (24)In (22), In is the modified Bessel function of ordern. ... 1. 5. φ(ξ ′,η′,ζ ′)U. ((ξ ξ ′)24. (ηη′)24. (ζ ζ ′)2.

18 Nov 2002: ODC 24. TH 25. NOS 26. GRa1 27. GRa2 28. GRa3 29.

24 Sep 2002: U 2ii. j=0(r2i,2j P2j (cos θ)) (24). and we set each term of the Taylor expansion of φ(r(θ), θ) in U equal to zero. ... to the leading order mainstream condensate. Here n is the outward normal to the surface (24)of the electron.

24 Sep 2002: 2 2q b y b j. 5.6Ž. Ý Ý Ý2 24 3 5mj j /z q wŽ. ... Appl. Math. 32:353]366Ž. 1984. 4. G. B. WHITHAM, On Shocks and Solitary Waes, Scripps Institution of OceanographyReference Series 91-24, 1991.

16 May 2002: linearly. related to the Peach–Koehler force through the drag relation. f(k) = Bv(k); (24). ... 24) is taken to be B = 104 Pa s, all of which are.

16 May 2002: On taking an inclination b 308, tY 50MPa, E 182 GPa and d 5:5 mm, the relation (24) gives Gmc 10:7 kJmÿ2.Thus, Gdc=Gmc equals 0.1, and ... Through-thickness stitching isa promising technique for raising Gdc, the use of thick bres elevates Gmc

16 May 2002: 1 (f). 1/24-th of the soft sphere is. meshed. The mesh comprises about 4300 second order elements and 100,000 degrees of freedom; 20-node bricks and 15-node ... The mesh in Fig. 3(b) models a 1/24 of the central soft sphere.

20 Feb 2002: PERGAMON Journal of the Mechanics and Physics of Solids. 36 "0888# 0552Ð0586. 9911!4985:88:,! see front matter Þ 0888 Elsevier Science Ltd[ All rights reservedPII] S 9 9 1 1! 4 9 8 5 " 8 7 # 9 9 0 1 1! 6. A constitutive model for

10 May 2002: Since the genus must be equto zero or to a positive integer,x can take the integer valueof 2, 0, 22, 24.

17 May 2002: 24 2.3.3 Direct simulation of unsteady transition. 28 2.3.4 Comments on unsteady transition.

7 Oct 2002: CUED/D-SOILS/TR324 (October 2002) Page-24. Figure 18: Plastic deformation measurements of pile 8 after test SB-04.

20 Aug 2002: CUED D/SOILS/TR321 White 2002 ________________________________________________________________________________________________________. 24. sample after each addition of fine material revealed that an evolution of a ‘tail’ in the.

4 Mar 2002: 4.5 Test SKH-17 The results of test SKH-17 are plotted in Figures 21-24. ... PPT2259. PPT6669. PPT6794. PPT6260. Max= 7.18. Min= 4.92. Max= 64.1. Min= 24.2.

28 Feb 2002: Figure 23: Pore pressures measured in test SKH-11 35 Figure 24: Accelerations measured in test SKH-12 37. ... of approximately 20% magnitude. No significant ground displacement was measured. The results of test SKH-12 are plotted in Figure 24.

7 May 2002: 24. experiment. At the time of the second experiment, the de-airing device and all the available.

7 May 2002: The solenoid valves could be operated by a 24 V d.c. ... Page 17. Technical Report No. CUJZD/D&ils/TR286 Sharma & Bolton. 3 028 - EJ Without any surface water26 -24 -. With surface water. 2 1 8E 16z 1 4. 121086420.

7 Mar 2002: Unicam Application note. 24. N Perez-Souto, R J Lynch, G Measures and J T Hann, " Use of high performance liquid chromatographic peak deconvolution and peak labelling to identify antiparasitic components

7 Jul 2002: 0.65 24 mm 2.4 m 2.1 500 (D50 = 45 µm).

26 Feb 2002: 24:1. König, D., Jessberger, H.L., Bolton, M.D., Phillips, R., Bagge, G., Renzi, R., and Garnier, J.

21 Jan 2002: 0.07 -0.06 -0.05 -0.04 -0.03 -0.02 -0.01 0 0.01-24. -20.

30 Jul 2002: Calladine studies a physical model of a tensegritystructure with 12 joints and 24 bars, which should be loose with 6 degrees of freedom,according to Maxwell’s rule; yet, it is

27 Aug 2002: 20 16 4.130 24 5.340 33 5.9. 6. Table 3: Tested configurations. ... Configuration Cuts Slits α β γ w(deg) (deg) (deg) (mm). O - - - - - -A 2 2 - 4 50 20B - 4 8 24 90 20.

14 May 2002: γ tot2. .   .   γ tot π kα (24).

12 Jul 2002: 24. 4.4 Equation for ϑ1maxIn this case, the rotations vary approximately in a logarithmic manner. ... X. Z. tape measures. original positions. K zz. 1. Figure 5.24: Definition of extensional stiffness in z-direction.