Sciweavers

JCC
2007
63views more  JCC 2007»
13 years 4 months ago
Quantum correction to the pair distribution function
: 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