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.
Contributions in the first group are typically due to researchers working in solid state and mathematical physics. These include the pioneering works of Kohn @cite_124 and des Cloizeaux @cite_50 , and the more recent papers by Nenciu @cite_91 , @cite_81 , and a group of papers by Prodan, Kohn, and collaborators @cite_6 @cite_79 @cite_118 .
@cite_118 @cite_91 @cite_6 @cite_79 @cite_81 @cite_50 @cite_124
2052952091 2134670261 2045300586 2037768897
Over the past decade, physicists have developed deep but non-rigorous techniques for studying phase transitions in discrete structures. Recently, their ideas have been harnessed to obtain improved rigorous results on the phase transitions in binary problems such as random @math -SAT or @math -NAESAT (e.g., Coja-Oghlan and Panagiotou: STOC 2013). However, these rigorous arguments, typically centered around the second moment method, do not extend easily to problems where there are more than two possible values per variable. The single most intensely studied example of such a problem is random graph @math -coloring. Here we develop a novel approach to the second moment method in this problem. This new method, inspired by physics conjectures on the geometry of the set of @math -colorings, allows us to establish a substantially improved lower bound on the @math -colorability threshold. The new lower bound is within an additive @math of a simple first-moment upper bound and within @math of the physics conjecture. By comparison, the best previous lower bound left a gap of about @math , unbounded in terms of the number of colors [Achlioptas, Naor: STOC 2004]. The following paper is reproduced from a Russian journal of the character of our own Proceedings of the National Academy of Sciences, Comptes Rendus (Doklady) de I'Academie des Sciences de I'URSS, 1942, Volume XXXVII, No. 7-8. The author is one of the most distinguished of Russian mathematicians. He has made very important contributions in pure mathematics in the theory of functional analysis, and has made equally important contributions to applied mathematics in numerical analysis and the theory and practice of computation. Although his exposition in this paper is quite terse and couched in mathematical language which may be difficult for some readers of Management Science to follow, it is thought that this presentation will: (1) make available to American readers generally an important work in the field of linear programming, (2) provide an indication of the type of analytic work which has been done and is being done in connection with rational planning in Russia, (3) through the specific examples mentioned indicate the types of interpretation which the Russians have made of the abstract mathematics (for example, the potential and field interpretations adduced in this country recently by W. Prager were anticipated in this paper). It is to be noted, however, that the problem of determining an effective method of actually acquiring the solution to a specific problem is not solved in this paper. In the category of development of such methods we seem to be, currently, ahead of the Russians.--A. Charnes, Northwestern Technological Institute and The Transportation Center. The representation of physics problems in relation to the organization of physics knowledge is investigated in experts and novices. Four experiments examine (a) the existence of problem categories as a basis for representation; (b) differences in the categories used by experts and novices; (c) differences in the knowledge associated with the categories; and (d) features in the problems that contribute to problem categorization and representation. Results from sorting tasks and protocols reveal that experts and novices begin their problem representations with specifiably different problem categories, and completion of the representations depends on the knowledge associated with the categories. For, the experts initially abstract physics principles to approach and solve a problem representation, whereas novices base their representation and approaches on the problem's literal features. A generalization of the numerical renormalization-group procedure used first by Wilson for the Kondo problem is presented. It is shown that this formulation is optimal in a certain sense. As a demonstration of the effectiveness of this approach, results from numerical real-space renormalization-group calculations for Heisenberg chains are presented.