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JCC
2007
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JCC 2007
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Quantum correction to the pair distribution function
13 years 11 months ago
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biophysics.asu.edu
: We report a numerical technique that allows the quantum effects of zero-point motion to be incorporated into Pair Distribution Functions calculated classically for molecules usin...
V. A. Levashov, S. J. L. Billinge, M. F. Thorpe
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