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100 1  Papadopoulos, M. G. 
245 10 Linear-Scaling Techniques in Computational Chemistry and 
       Physics|h[electronic resource] :|bMethods and Applications
       /|cedited by Robert Zalesny, Manthos G. Papadopoulos, Paul
       G. Mezey, Jerzy Leszczynski. 
260    Dordrecht :|bSpringer Netherlands :|bImprint: Springer,
       |c2011. 
300    XX, 516 p.|bonline resource. 
347    text file|bPDF|2rda 
490 1  Challenges and Advances in Computational Chemistry and 
       Physics ;|v13 
505 0  Including chapters on: Linear scaling second order MĖ¨ller 
       Plesset perturbation theory -- Divide-and-conquer 
       approaches to quantum chemistry: Theory and implementation
       -- Mathematical formulation of the fragment molecular 
       orbital method -- Linear scaling for metallic systems by 
       the Korringa-Kohn-Rostoker multiple-scattering method -- 
       Density matrix methods in linear scaling electronic 
       structure theory -- Methods for Hartree-Fock and density 
       functional theory electronic structure calculations with 
       linearly scaling processor time and memory usage -- Some 
       thoughts on the scope of the linear scaling self-
       consistent field electrnic structure methods -- The linear
       scaling semiempirical localSCF method and the finite LMO 
       approximation -- Molecular Tailoring: an Art of the 
       Possible for Ab Initio Treatment of Large Molecules and 
       Molecular Clusters -- Local approximations for an 
       efficient treatment of electron correlation and electron 
       excitations in molecules. 
520    Computational chemistry methods have become increasingly 
       important in recent years, as manifested by their rapidly 
       extending applications in a large number of diverse 
       fields. The ever-increasing size of the systems one wants 
       to study leads to the development and application of 
       methods, which provide satisfactory answers at a 
       manageable computational cost. An important variety of 
       computational techniques for large systems are represented
       by the linear-scaling techniques, that is, by methods 
       where the computational cost scales linearly with the size
       of the system. This monograph is a collection of chapters,
       which report the state-of-the-art developments and 
       applications of many important classes of linear-scaling 
       methods. Linear-Scaling Techniques in Computational 
       Chemistry and Physics: Methods and Applications serves as 
       a handbook for theoreticians who are involved in the 
       development of new and efficient computational methods as 
       well as for scientists who use the tools of computational 
       chemistry and physics in their research 
650  0 Chemistry. 
700 1  Zalesny, Robert. 
700 1  Mezey, Paul G. 
700 1  Leszczynski, Jerzy. 
710 2  SpringerLink (Online service) 
830  0 Challenges and Advances in Computational Chemistry and 
       Physics ;|v13 
856 40 |uhttps://link.springer.com/openurl?genre=book&isbn=978-90
       -481-2852-5|zFull text available from SpringerLink ebooks 
       - Chemistry and Materials Science (2011)