4 papers
Roton-Rotation Coupling of Acetylene in He
R. E. Zillich, K. B. Whaley
Rotational absorption spectra of acetylene in superfluid He are calculated using a combined correlated basis function-diffusion Monte Carlo method (CBF/DMC) as well as a numeri…
Comparison of Rotational Energies and Rigidity of OCS-paraH_2 and OCS-4He complexes
R. E. Zillich, K. B. Whaley
We analyze the nature of the rotational energy level structure of the OCS-He and OCS-H_2 complexes with a comparison of exact calculations to several differentdynamical approximati…
OCS in small para-hydrogen clusters: energetics and structure with N=1-8 complexed hydrogen molecules
F. Paesani, R. E. Zillich, K. B. Whaley
We determine the structure and energetics of complexes of the linear OCS molecule with small numbers of para-hydrogen molecules, N=1-8, using zero temperature quantum Monte Carlo m…
Quantum Rotation of HCN and DCN in Helium-4
R. E. Zillich, K. B. Whaley
We present calculations of rotational absorption spectra of the molecules HCN and DCN in superfluid helium-4, using a combination of the Diffusion Monte Carlo method for ground sta…