Motivated by applications in quantum chemistry and solid state physics, we apply general results from approximation theory and matrix analysis to the study of the decay properties of spectral projectors associated with large and sparse Hermitian matrices. Our theory leads to a rigorous proof of the exponential off-diagonal decay ("nearsightedness") for the density matrix of gapped systems at zero electronic temperature in both orthogonal and non-orthogonal representations, thus providing a firm theoretical basis for the possibility of linear scaling methods in electronic structure calculations for non-met allic systems. We further discuss the case of density matrices for met allic systems at positive electronic temperature. A few other possible applications are also discussed.
It is interesting to compare these statements with two earlier ones by Stefan Goedecker. In @cite_9 he wrote (page 261):
@cite_9
2051580875 2161068733 2000931246 2963961878
We consider the performance of two algorithms, GUC and SC studied by M. T. Chao and J. Franco SIAM J. Comput.15(1986), 1106?1118;Inform. Sci.51(1990), 289?314 and V. Chvatal and B. Reed in“Proceedings of the 33rd IEEE Symposium on Foundations of Computer Science, 1992,” pp. 620?627, when applied to a random instance ? of a boolean formula in conjunctive normal form withnvariables and ?cn? clauses of sizekeach. For the case wherek=3, we obtain the exact limiting probability that GUC succeeds. We also consider the situation when GUC is allowed to have limited backtracking, and we improve an existing threshold forcbelow which almost all ? is satisfiable. Fork?4, we obtain a similar result regarding SC with limited backtracking. In his campaign for the U.S. presidency from 1975 to 1979, Ronald Reagan delivered over 1000 radio broadcasts. For over 600 of these we have direct evidence of Reagan's authorship. The aim of this study was to determine the authorship of 312 of the broadcasts for which no direct evidence is available. We addressed the prediction problem for speeches delivered in different epochs and we explored a wide range of off-the-shelf classification methods and fully Bayesian generative models. Eventually we produced separate sets of predictions using the most accurate classifiers, based on non-contextual words as well as on semantic features, for the 312 speeches of uncertain authorship. All the predictions agree on 135 of the "unknown" speeches, whereas the fully Bayesian models agree on an additional 154 of them. The magnitude of the posterior odds of authorship led us to conclude that Ronald Reagan drafted 167 speeches and was aided in the preparation of the remaining 145. Our inferences were not sensitive to "reasonable" variations in the sets of constants underlying the prior distributions, and the cross-validated accuracy of our best fully Bayesian model was above 90 percent in all cases. The agreement of multiple methods for predicting the authorship for the "unknown" speeches reinforced our confidence in the accuracy of our classifications. Let f be a random Boolean formula that is an instance of 3-SAT. We consider the problem of computing the least real number k such that if the ratio of the number of clauses over the number of variables of f strictly exceeds k , then f is almost certainly unsatisfiable. By a well-known and more or less straightforward argument, it can be shown that kF5.191. This upper bound was improved by to 4.758 by first providing new improved bounds for the occupancy problem. There is strong experimental evidence that the value of k is around 4.2. In this work, we define, in terms of the random formula f, a decreasing sequence of random variables such that, if the expected value of any one of them converges to zero, then f is almost certainly unsatisfiable. By letting the expected value of the first term of the sequence converge to zero, we obtain, by simple and elementary computations, an upper bound for k equal to 4.667. From the expected value of the second term of the sequence, we get the value 4.601q . In general, by letting the U This work was performed while the first author was visiting the School of Computer Science, Carleton Ž University, and was partially supported by NSERC Natural Sciences and Engineering Research Council . of Canada , and by a grant from the University of Patras for sabbatical leaves. The second and third Ž authors were supported in part by grants from NSERC Natural Sciences and Engineering Research . Council of Canada . During the last stages of this research, the first and last authors were also partially Ž . supported by EU ESPRIT Long-Term Research Project ALCOM-IT Project No. 20244 . †An extended abstract of this paper was published in the Proceedings of the Fourth Annual European Ž Symposium on Algorithms, ESA’96, September 25]27, 1996, Barcelona, Spain Springer-Verlag, LNCS, . pp. 27]38 . That extended abstract was coauthored by the first three authors of the present paper. Correspondence to: L. M. Kirousis Q 1998 John Wiley & Sons, Inc. CCC 1042-9832r98r030253-17 253 In this paper we introduce a new publicly available dataset for verification against textual sources, FEVER: Fact Extraction and VERification. It consists of 185,445 claims generated by altering sentences extracted from Wikipedia and subsequently verified without knowledge of the sentence they were derived from. The claims are classified as SUPPORTED, REFUTED or NOTENOUGHINFO by annotators achieving 0.6841 in Fleiss κ. For the first two classes, the annotators also recorded the sentence(s) forming the necessary evidence for their judgment. To characterize the challenge of the dataset presented, we develop a pipeline approach and compare it to suitably designed oracles. The best accuracy we achieve on labeling a claim accompanied by the correct evidence is 31.87 , while if we ignore the evidence we achieve 50.91 . Thus we believe that FEVER is a challenging testbed that will help stimulate progress on claim verification against textual sources.