Table IV.

Comparison of some characteristic points of the H₂–CO PES. The distances are given in bohr and energies in cm⁻¹.

	R	rH2	rCO	VH2(rH2)	VCO(rCO)	Vmin	Utot,min
				(θ1,θ2,ϕ)=(0°,180°,0°)
Utot,15a	7.8977	1.4021	2.1319	0.0419	0.0139	-91.1649	−91.1091
Yang et al.b	8.0000	1.4011	2.1359				−85.937
Utot,Yc	8.0000	1.4011	2.1359	0.0000	1.8023		−79.626
Utot,15	8.0000	1.4011	2.1359	0.0000	1.8023	-90.2631	−88.4607
Utot,Ya,c	7.9156	1.4025	2.1319	0.0814	0.0139	-80.4394	−80.3441
				(θ1,θ2,ϕ)=(0°,0°,0°)
Utot,15d	7.1398	1.4016	2.1325	0.0108	0.0103	-72.1001	−72.0789
Utot,Yc,d	7.1858	1.4015	2.1325	0.0070	0.0103	-69.1956	−69.1782

^aThe global minimum.

^bThe ab initio computed value reported by Yang et al., Ref. 19.

^cThe value computed by us from the original Yang et al.¹⁹ intermonomer potential using the same monomers' potentials as in U_tot,15.

^dThe local minimum.