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
× 102 cm−1
× 109 cm−1
- × 1016 cm−1
- × 1022 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].