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The electronic and vibrational energies of the 5Σg+ state of He2 which corresponds asymptotically to the interaction of two 1s2s 3S He atoms

✍ Scribed by Daniel D. Konowalow; Byron H. Lengsfield III

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
297 KB
Volume
139
Category
Article
ISSN
0009-2614

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✦ Synopsis

A reliable adiabatic potential curve for the 'Z: state of He2 which corresponds to the interaction of a pair of 1~2s 'S atoms is determined by configuration interaction (CI) calculations comprising single and double excitations from a 31-configuration multireference base. It has a van der Waals well nearly 900 cm-' deep which supports at least 17 bound vibrational energy levels.

Reliable values for the dipole, quadrupole, and octupole polarizabilities of the triplet atom were calculated at the CI level in the course of developing our basis set.

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