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      Unified Approach for Molecular Dynamics and Density-Functional Theory

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      Physical Review Letters

      American Physical Society (APS)

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          Most cited references 9

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          Self-Consistent Equations Including Exchange and Correlation Effects

           Kurt W. Kohn,  L. Sham (1965)
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            Self-interaction correction to density-functional approximations for many-electron systems

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              Optimization by simulated annealing.

              There is a deep and useful connection between statistical mechanics (the behavior of systems with many degrees of freedom in thermal equilibrium at a finite temperature) and multivariate or combinatorial optimization (finding the minimum of a given function depending on many parameters). A detailed analogy with annealing in solids provides a framework for optimization of the properties of very large and complex systems. This connection to statistical mechanics exposes new information and provides an unfamiliar perspective on traditional optimization problems and methods.
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                Author and article information

                Journal
                PRLTAO
                Physical Review Letters
                Phys. Rev. Lett.
                American Physical Society (APS)
                0031-9007
                November 1985
                November 25 1985
                : 55
                : 22
                : 2471-2474
                10.1103/PhysRevLett.55.2471
                10032153
                © 1985

                http://link.aps.org/licenses/aps-default-license

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