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Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node9.html11 Jul 2000: Bibliography. S. Goedecker, Rev. Mod. Phys. 71 (1999) 1085. 2. J. H. Wilkinson, The algebraic eigenvalue problem (Clarendon Press, Oxford, 1965). B. N. Parlett, The symmetric eigenvalue problem (Prentice-Hall, Eaglewood Cliffs, NJ, 1980). G. H. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper4/node10.html7 Jan 2000: Turnbull, eds., Solid State Physics Vol. 24 (Academic Press, New York, 1970) 1-36. -
4. Tests of the algorithm
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node4.html11 Jul 2000: We use an LDA [24] for the exchange and correlation term. ... We have performed another calculation with. updated according to the highest kinetic energy of all approximate eigenvectors, which converges to 24 eV. -
3. The iterative method
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node3.html11 Jul 2000: where. (24). where. is. from the previous iteration. We give the expression for.
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