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The FFT box technique
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node4.html31 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. -
Probability, Statistics and Optimization
www.statslab.cam.ac.uk/~frank/BOOKS/pso.html16 Sep 2002: Kendall. 24. The link between kriging and thin plate splines, J.T. -
XMM SSC XID TOOLS WWW Page
https://people.ast.cam.ac.uk/~xmmssc/xidtools/24 Jan 2002: Last modified: Thu Jan 24 18:35:39 2002. -
Density-functional calculations
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper8/node3.html31 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 -
PPT Slide
www.statslab.cam.ac.uk/~frank/TALKS/eurandom2002/sld024.htm4 Nov 2002: Slide 24 of 36. -
The NGWF pseudopotential plane-wave method in practice
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node5.html31 Oct 2002: The equilibrium bond length for this case differs by 3.34% from CASTEP, as compared to -1.24% for the. -
Total energy optimisation
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper10/node11.html29 Oct 2002: Our implementation follows the simplified version of Millam and Scuseria [24]. -
assessment of cold fusion research
www.tcm.phy.cam.ac.uk/~bdj10/papers/storms/review8.html11 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. -
Energetics
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node5.html28 Oct 2002: BN systems. Benzene. 2.24. 1.99. Borazine. PPV. 2.22. 1.98. PVB. PPP. -
www.damtp.cam.ac.uk/user/ngb23/publications/names_n.txt
www.damtp.cam.ac.uk/user/ngb23/publications/names_n.txt18 Nov 2002: ODC 24. TH 25. NOS 26. GRa1 27. GRa2 28. GRa3 29.
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