Methods
Dual-basis dynamics
Accelerated, correlated-
wavefunction dynamics
Mixed time slicing
for path integrals
Applications
NO+(H2O)n clusters
Quantum structure of CH5+
(in progress)
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Mixed time slicing in path integral simulations
[Manuscript under review...summary coming soon!]
Reference:
"Mixed time slicing in path integral simulations"
R. P. Steele, J. Zwickl, P. Shushkov, and J. C. Tully. J. Chem. Phys. accepted (2010).
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