Solution of the Rovibrational Schrödinger Equation of a Molecule Using the Volterra Integral Equation

Table 2

The energy eigenvalues , the rotational constants , and the centrifugal distortion constants , , of the pure vibrational energy levels of the RKR potential of the electronic state of the molecule I₂.

v	cm^−1	× 10^2 cm^−1	× 10^9 cm^−1	-  × 10^16 cm^−1	-  × 10^22 cm^−1
0	107.10	3.731	4.547	5.115	2.858
	107.0981
1	320.40	3.719	4.572	5.380	3.115
	320.3986
2	532.47	3.708	4.597	5.554	3.345
	532.4712
3	743.31	3.696	4.624	5.750	3.462
	743.3082
4	952.90	3.684	4.651	5.959	3.589
	952.9017
5	1161.24	3.673	4.679	6.282	4.258
	1161.2438
6	1368.33	3.661	4.708	6.504	3.546
	1368.3260
7	1574.14	3.649	4.739	6.857	5.389
	1374.1399
8	1778.68	3.637	4.770	7.131	4.302
	1778.6764	3.637	4.768	5.57	3.03
9	1981.93	3.625	4.803	7.365	5.531
	1981.9263	3.625	4.794	7.18	3.23
10	2183.88	3.613	4.837	7.742	6.076
	2183.8800	3.613	4.825	7.50	3.46
11	2384.53	3.601	4.872	7.949	5.614
	2384.5275	3.601	4.864	7.85	3.73
12	2583.86	3.589	4.909	8.316	6.790
	2583.8536	3.589	4.901	8.32	4.02
13	2781.86	3.576	4.947	8.679	6.859
	2781.8628	3.577	4.939	8.64	4.35
14	2978.53	3.564	4.987	9.049	6.970
	2978.5290	3.564	4.980	9.08	4.71
15	3173.84	3.551	5.029	9.510	7.467
	3173.8461	3.551	5.019	9.54	5.11
16	3367.80	3.539	5.072	10.01	8.106
	3367.8023	3.540	5.509	10.04	5.56
17	3560.38	3.526	5.117	10.52	8.463
	3560.3875	3.527	5.114	10.57	6.05
18	3751.58	3.513	5.163	11.10
	3751.5835	3.513	5.166	11.13
19	3941.38	3.121
	3941.3830

The first entry is for the present work.
The second entry is for [16].