From H2+ to the multidimensional potential of the intermolecular interaction Ar·HBr: A canonical approach
作者： Jay R. Walton , Luis A. Rivera-Rivera , Robert R. Lucchese , John W. Bevan
DOI: 10.1016/J.CPLETT.2015.08.060
关键词:
摘要: Abstract A proof-of-concept for the accurate generation of multidimensional intermolecular interaction potentials is demonstrated. The basis evaluating this application available very 3-D morphed potential Ar·HBr. Starting from well-defined simplest molecule, diatomic H 2 + , a recently developed 1-D canonical used with selected 2-D polyatomic data to generate adiabatic in Ar·HBr, HBr vibrational ground state. This represents first transformations higher vibrationally dimensional molecular system, case, Results indicate intrinsic bonding characteristics inherent both systems.
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