Bibliographic record for `Yang:2008:KMT'

@Article{Yang:2008:KMT,
  author =       "Chao Yang and Juan C. Meza and Byounghak Lee and Lin-Wang Wang",
  title =        "{KSSOLV} - A {MATLAB} Toolbox for Solving the {Kohn-Sham} Equations",
  journal =      "{ACM} Transactions on Mathematical Software",
  accepted =     "10 September 2008",
  upcoming =     "true",
  abstract =     "We describe the design and implementation of KSSOLV, a MATLAB toolbox for solving a class of nonlinear 
                 eigenvalue problems known as the Kohn-Sham equations. These types of problems arise in electronic structure 
                 calculations, which are nowadays essential for studying the microscopic quantum mechanical properties of 
                 molecules, solids and other nanoscale materials. KSSOLV is well suited for developing new algorithms for 
                 solving the Kohn-Sham equations and is designed to enable researchers in computational and applied mathematics 
                 to investigate the convergence properties of the existing algorithms. The toolbox makes use of the 
                 object-oriented programming features available in MATLAB so that the process of setting up a physical system 
                 is straightforward and the amount of coding effort required to prototype, test and compare new algorithms is 
                 significantly reduced.  All of these features should also make this package attractive to other computational 
                 scientists and students who wish to study small to medium size systems.",
}