Interaction Potential between He and H2

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Abstract
The interaction potential of He with H2 has been determined in the Hartree—Fock approximation. An analytic expression for the interaction potential has been determined in a form suitable for consideration of energy‐transfer problems. The expression is V(X, R, θ)=C exp{‐α0X+α1Xr} {A(θ)+B(θ)r}, which is valid for 0≤R≤2 a.u., 2.5≤X≤3.8 a.u., where R=r+Re, Re=1.4 a.u. and C=198.378 eV, α0=1.86176 a.u.−1, α1=0.3206 a.u.−2, A(θ)=1.10041 {1+0.18250 P2(cosθ)}, B(θ)=−0.52151 {1−0.27506 P2(cos(θ)} a.u.−1. X is the distance between the He and H2 centers of charge, R is the H2 bond distance, and XR cosθ=X·R. From this result we see that the force exerted on the oscillator is comparable for both a collision along the line of centers and one along the molecular bisector.