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31 Oct 2002: Accurate kinetic energy evaluation in electronic structure calculations with localised functions on real space grids. Chris-Kriton Skylaris, Arash A. Mostofi, Peter D. Haynes, Chris J. Pickard and Mike C. Payne. Theory of Condensed Matter, Cavendish

25 Oct 2002: Preconditioned conjugate gradient method for the sparse generalized eigenvalue problem in electronic structure calculations. C. K. Gan, P. D. Haynes and M. C. Payne. Theory of Condensed Matter, Cavendish Laboratory, Madingley Road, Cambridge CB3 OHE

31 Oct 2002: Next: Tests and discussion Up: Theory Previous: Finite Differences.

31 Oct 2002: We outline the theory on which our method is based and present test calculations on a variety of systems.

25 Oct 2002: This scheme has been implemented and applied to the test case of 216 atoms of crystalline silicon.

14 Jan 2002: 7. Experiment 1a: testing autobiographical memory insemantic dementia using a detailed Crovitz test. ... matched control subjects, on tests tappingword production and conceptual knowledge (e.g.Graded Naming Test [61], category fluency, word-pic-ture

20 May 2002: SBP tests can also be carried out. In order to interpret the test, new geometry constants (shape factors), specific to the test cavity shape, were required. ... Tests were conducted at three natural soil deposit sites and one engineered barrier test site

13 Feb 2002: The test series has shown that macroscopic partially drained behaviour was different from that expected in the drained or undrained conditions. ... There is no evidence of pore pressure building up in any of the events conducted in the nine tests.

21 Jan 2002: Here is a simple test job that generates QCD 2->2 events at the Tevatron. ... There is also a test job that shows how to read in SUSY input files and generate SUSY events at the LHC.

25 Oct 2002: A test for Diels-Alder reactions and Pt(P(t-Bu)(3))(2)H-2 oxidative addition", J. Phys. ... Chem. 100, 19357 (1996);. T. Matsubara, S. Sieber and K. Morokuma, "A test of the new 'integrated M0MM' (IMOMM) method for the conformational energy of ethane and