Rigid top propagator
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For a rigid three dimensional asymmetric top the kernel is given by ([1][2]
References
- ↑ M. H. Müser and B. J. Berne "Path-Integral Monte Carlo Scheme for Rigid Tops: Application to the Quantum Rotator Phase Transition in Solid Methane", Physical Review Letters 77 pp. 2638-2641 (1996)
- ↑ Eva G. Noya, Carlos Vega, and Carl McBride "A quantum propagator for path-integral simulations of rigid molecules", Journal of Chemical Physics 134 054117 (2011)