Wave-function localization in reciprocal space
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چکیده
منابع مشابه
Wave-function localization in reciprocal space
The localization of wave functions in real space is known to be extremely helpful in the investigation of the electronic properties and in the development of O(N) methods. However, maximally localized wave functions in real space do not provide a good representation of the Bloch orbitals of a metallic system, where the localization procedure is very inefficient and of little use. On the other h...
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We describe the theory of reciprocal diffusions in flat space. A reciprocal process is a Markov random field on a one dimensional parameter space. Every Markov process is reciprocal but not vice versa. We descibe the first and second order mean differential characteristics of reciprocal diffusions. This includes a new definition of stochastic acceleration. We show that reciprocal diffusions sat...
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8 Oliver, J., Harvey Lectures, Series XL, 1944-1945, p. 102. J. Mount Sinai Hosp. 15, 175, (1948). 9 Dock, W., New Eng. J. Med., 227, 633 (1942). 10 Randerath, E., Ergeb. d. Allg. Path. u. Path. Anat. des Menschen u. der Tiere, 32, 91 (1937). 11 Smetana, H., Am. J. Path., 18, 1029 (1942) and 23, 255 (1947). 12 Monke, J. V., and Yuile, C. L., J. Exp. Med., 72, 149 (1940). Yuile, C. L., and Clark...
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# 1999 International Union of Crystallography Printed in Denmark ± all rights reserved Solvent ̄attening is a powerful tool for improving crystallographic phases for macromolecular structures obtained at moderate resolution, but uncertainties in the optimal weighting of experimental phases and modi®ed phases make it dif®cult to extract all the phase information possible. Solvent ̄attening is esse...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2002
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.66.155209