Search
Search Funnelback University
- Refined by:
- Date: 2002
1 -
17 of
17
search results for katalk:PC53 24 / |u:www.tcm.phy.cam.ac.uk
where 0
match all words and 17
match some words.
Results that match 1 of 2 words
-
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper8/node7.html31 Oct 2002: Johns Hopkins University Press, Baltimore, 1996). 24. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node11.html28 Oct 2002: Springborg M 2001 Chem. Phys. Lett. 339, 389. 24. ... Paine RT and Sneddon LG 1994 CHEMTECH 24 29. 35. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper10/node20.html29 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.,. -
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]. -
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. -
Projection operators
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper10/node6.html29 Oct 2002: 24). where. Similarly, we define a supplementary operator,. , that performs the same task, but for the fine grid representation:. -
Introduction
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node1.html28 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 -
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. -
Introduction
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node1.html31 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 -
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. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node10.html31 Oct 2002: J. Quantum Chem. 65, 453 (1997). 24. -
Total energy optimisation
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node3.html31 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 -
Theoretical Physics 1Answers to Examination 2002 Warning — these ...
www.tcm.phy.cam.ac.uk/~cc726/TP1/ExamFiles/exam02sol.pdf24 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. -
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. -
��������� �� �������������������������� � �!��� �"…
www.tcm.phy.cam.ac.uk/~cc726/TP1/ExamFiles/exam00sol.pdf7 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 -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper7/node2.html28 Oct 2002: R. T. Paine and L. G. Sneddon, CHEMTECH 24, 29 (1994). -
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
Search history
Recently clicked results
Recently clicked results
Your click history is empty.
Recent searches
- `providing the latest news` |u:www.arch.cam.ac.uk (2) · moments ago
Recent searches
Your search history is empty.