(All atomic units, theta in degrees) ================================================= RCCSD(T) He+O2 interaction potential, Gerrit C. Groenenboom and Izabela M. Struniewicz, Submitted to J. Chem. Phys. (2000) E-mail: gerritg@theochem.kun.nl ================================================= ========================================= O2 potential, J. F. Babb and A. Dalgarno, Phys. Rev. A, 51, 3021 (1995) ========================================= n=150 R= 7.500000 theta= 5.000000 rOO= 2.140000 vHeO2 = -0.000087160709 (ab initio) vHeO2 = -0.000087161170 (fit) vO2 = -0.182363360054 n=300 R= 7.150000 theta= 15.000000 rOO= 2.380000 vHeO2 = -0.000108781218 (ab initio) vHeO2 = -0.000108722080 (fit) vO2 = -0.188371152375 n=450 R= 5.750000 theta= 65.000000 rOO= 2.620000 vHeO2 = 0.000028585941 (ab initio) vHeO2 = 0.000028036911 (fit) vO2 = -0.163124433341 n=600 R= 5.400000 theta= 75.000000 rOO= 2.860000 vHeO2 = 0.000148103391 (ab initio) vHeO2 = 0.000148240131 (fit) vO2 = -0.127966921293 n=750 R= 6.450000 theta= 85.000000 rOO= 3.100000 vHeO2 = -0.000102138747 (ab initio) vHeO2 = -0.000101752121 (fit) vO2 = -0.092578848411 number of points 781 Largest relative error for V>7.65e-4: 2.3611289713395 % Largest relative error for R>7: 0.39047214316503 % Largest absolute error for V<0: 7.1316388631359D-07