Expressions for the molecular momentum density of states as a function of spatial configuration in an angular momentum resolved microcanonical ensemble are derived. These expressions are then used to formulate an efficient sampling scheme for the generation of spatial configurations or full phase space vectors in an ensemble where both energy and angular momentum are predetermined. Applications to simple diatomic (OH) and triatomic (H2O) molecular models are presented.
No takes yet. Share an insight, caveat, or question.
Nyman et al. (1990) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: