2003/09/17 by Robert E. Zillich, R. E. Zillich, K. Birgitta Whaley +1
Chemistry · Mathematics · Physics and Astronomy · #Atomic and Subatomic Physics Research #Atomic physics #Chemistry #Classical mechanics #Cold Atom Physics and Bose-Einstein Condensates #Excited state #Geometry #Hamiltonian (control theory) #Inverse #Mathematics #Physics #Quantum mechanics #Quantum, superfluid, helium dynamics #Rigid rotor #Rigidity (electromagnetism) #Rotational energy #Rotor (electric) #physics.atm-clus #physics.comp-ph
paper · pdf · doi:10.1016/j.chemphys.2003.09.019
accepted by Chem. Phys., 2003
arxiv created 2003/09/17 · openalex publication_date 2003/10/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We analyze the nature of the rotational energy level structure of the OCS-He and OCS-H2 complexes with a comparison of exact calculations to several differentdynamical approximations. We compare with the clamped coordinate quasiadiabatic approximation that introduces an effective potential for each asymmetric rotor level, with an effective rotation Hamiltonian constructed from ground state averages of the inverse of the inertial matrix, and investigate the usefulness of the Eckart condition to decouple rotations and vibrations of these weakly bound complexes between linear OCS and 4He or H2. Comparison with exact results allows an assessment of the accuracies of the different approximate methods and indicates which approaches are suitable for larger clusters of OCS with 4He and with H2. We find the OCS-H2 complex is considerably more rigid than the OCS-4He complex, suggesting that semi-rigid models are useful for analysis of larger clusters of H2 with OCS.