Elsevier

Chemical Physics Letters

Volume 86, Issue 1, 5 February 1982, Pages 59-65
Chemical Physics Letters

Calculated long-range potential energy curve for the B O+u molecular state of I2

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Abstract

The long-range interaction energy is calculated for the B 0+u molecular state of I2 as a sum of the first non-zero electro- static and dispersion energy terms in the multipole expansion. Good agreement is obtained between experimental and calculated potential curves corresponding to C5 = −3.39 × 1055 cm−1 and C6 = 1.79 × 1066 cm−1.

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