Advances in Physical Chemistry / 2018 / Article / Tab 2

Research Article

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

0107.103.7314.5475.1152.858
107.0981

1320.403.7194.5725.3803.115
320.3986

2532.473.7084.5975.5543.345
532.4712

3743.313.6964.6245.7503.462
743.3082

4952.903.6844.6515.9593.589
952.9017

51161.243.6734.6796.2824.258
1161.2438

61368.333.6614.7086.5043.546
1368.3260

71574.143.6494.7396.8575.389
1374.1399

81778.683.6374.7707.1314.302
1778.67643.6374.7685.573.03

91981.933.6254.8037.3655.531
1981.92633.6254.7947.183.23

102183.883.6134.8377.7426.076
2183.88003.6134.8257.503.46

112384.533.6014.8727.9495.614
2384.52753.6014.8647.853.73

122583.863.5894.9098.3166.790
2583.85363.5894.9018.324.02

132781.863.5764.9478.6796.859
2781.86283.5774.9398.644.35

142978.533.5644.9879.0496.970
2978.52903.5644.9809.084.71

153173.843.5515.0299.5107.467
3173.84613.5515.0199.545.11

163367.803.5395.07210.018.106
3367.80233.5405.50910.045.56

173560.383.5265.11710.528.463
3560.38753.5275.11410.576.05

183751.583.5135.16311.10
3751.58353.5135.16611.13

193941.383.121
3941.3830

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