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Modelling the polarizability of the dihydrogen–argon pair Export

Chemical Physics Letters (04 February 2009)

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The collision-induced (CI) pair polarizability of dihydrogen–argon (H 2 –Ar) pair has been studied using quantum-chemical and analytical methods. We have proposed a procedure to determine the rotationally adapted (symmetry adapted) components of the CI polarizability tensor. The corresponding irreducible spherical symmetry adapted components are computed for the H 2 –Ar pair. We have analyzed the dipole-induced dipole (DID) model pair polarizability tensor for H 2 –Ar . Good agreement between the DID allowed rotationally adapted CI H 2 –Ar polarizability components and those computed by quantum-chemical methods is found.


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