Accuracy and Efficiency in Computational Chemistry: The Correlation Consistent Composite Approach
Description:
One of the central concerns of computational chemistry is that of efficiency (i.e. the development of methodologies which will yield increased accuracy of prediction without requiring additional computational resources – RAM, disk space, computing time). Though the equations of quantum mechanics are known, the solutions to these equations often require a great deal of computing power. This dissertation primarily concerns the theme of improved computational efficiency (i.e. the achievement of g…
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Date:
August 2011
Creator:
Wilson, Brent R.
Partner:
UNT Libraries