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Laura Delgado-Tellez, Alvaro Valdés, Rita Prosmiti, Pablo Villarreal and Gerardo Delgado-Barrio HeI2 interaction potential based on an interpolation scheme International Journal of Quantum Chemistry 112

Version of Record online: 29 MAY 2012 | DOI: 10.1002/qua.24160

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A new CCSD(T) interaction potential for the HeI2 ground state complex is constructed using the reproducing kernel Hilbert Space interpolation method. The influence of different generation procedures of the surface on the stability of the two, linear and T-shaped, isomers, and vibrational states of the cluster in comparison with the experimental measurements is also discussed.

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