Major computational advances in predicting the electronic and structural properties of matter come from two sources: improved performance of hardware and the creation of new algorithms, i.e., software. Improved hardware follows technical advances in computer design and electronic components. Such advances are frequently characterized by Moore’s Law, which states that computer power will double every 2 years or so. This law has held true for the past 20 or 30 years and most workers expect it to hold for the next decade, suggesting that such technical advances can be predicted.
KeywordsWave Function Valence Electron Real Space Electronic Scale Difference Expansion
Unable to display preview. Download preview PDF.
- C.L. Bris (ed.), Handbook of Numerical Analysis (Devoted to Computational Chemistry), Volume X, Elsevier, Amsterdam, 2003.Google Scholar
- S. Lundqvist and N.H. March (eds.), Theory of the Inhomogeneous Electron Gas, Plenum, New York, 1983.Google Scholar
- J.R. Chelikowsky and M.L. Cohen, “Ab initio pseudopotentials for semiconductors,” In: T.S. Moss and P.T. Landsberg (eds.), Handbook of Semiconductors, 2nd edn., Elsevier, Amsterdam, 1992.Google Scholar
- J.R. Chelikowsky and S.G. Louie (eds.), Quantum Theory of Materials, Kluwer, Dordrecht, 1996.Google Scholar