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Re^4: Free-radical optimization in Mp2

sanya
sanya@photonics.ru

Attached is a picture to illustrate the statement in my previous post:

Total energy of H2 molecule as a function of the internuclear distance R for the ground (1Σ+g), triplet (3Σ+u), singlet (1Σ+u), and doubly excited singlet (1Σ+g) states.

picture from V.I. Minkin, B.Ya. Simkin, and R.M. Minyaev, "Teoriya stroeniya molekul" (Molecular Structure Theory)

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