Dispersion forces, second- and third-order energies

• The properly symmetrized second order energy, epsilon(Q)(2). has been observed to approach one half of the correct dispersion energy epsilon(2) for large interactomic distances. We contend that the proper quantity to be examined is epsilon(Q)(2)lambda(Q). lambda(Q) approaches epsilon(Q)(2)/(epsilon(Q)(2) - epsilon(Q)(3)) approximate to 2 at R=8a(o) for H-2 and epsilon(Q)(2)/epsilon(Q)(3) approximate to 2. Hence E-o - epsilon(Q)(1) + epsilon(Q)(2) is a bad approximation.

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NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

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