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ES 2013 : The 25 th Annual Workshop on Recent Developments in Electronic Structure Methods Local Organizers :
Density functional theory, coupled to a polarizable continuum model (PCM), can accurately describe electronic structure of molecules and metallic surfaces in a liquid. However, due to the linearExpand
Practical Construction of Modi ed Hamiltonians
One of the most fruitful ways to analyze the eeects of discretization error in the numerical solution of a system of diierential equations is to examine the \modiied equations," which are theExpand
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