Table 3: Energy spectrum of LiH and CO (in eV) for different states where 𝑐 = 1 9 7 3 . 2 9  eV Å, 𝜇 L i H = 0 . 8 8 0 1 2 2 1  amu, 𝜇 C O = 6 . 8 6 0 6 7 1 9  amu, and 𝐴 = 2 𝑏 .

States 1 / 𝑏 a L i H / 𝛼 = 0 , 1 𝛼 = 0 . 7 5 𝛼 = 1 . 5 C O / 𝛼 = 0 , 1 𝛼 = 0 . 7 5 𝛼 = 1 . 5

2 𝑝 0.025 −5.35811876 −5.72700906 −4.27570397 −1.374733789 −0.734690030 −0.548509185
0.050 −4.80894870 −5.14962650 −3.81140413 −1.233833096 −0.660620439 −0.488946426
0.075 −4.28946350 −4.60291196 −3.37377792 −1.100548657 −0.590485101 −0.432805497
0.100 −3.79966317 −4.08687021 −2.74125274 −0.974880471 −0.524284624 −0.351661930

3 𝑝 0.025 −2.07835401 −2.18146262 −1.75568186 −0.533243776 −0.279849188 −0.225227854
0.050 −1.58484188 −1.67504351 −1.30479958 −0.406623254 −0.214883153 −0.167386368
0.075 −1.15812308 −1.23540823 −0.92070588 −0.297139912 −0.158484490 −0.118112862
0.100 −0.79819287 −0.86256629 −0.60340076 −0.204792531 −0.110654417 −0.077407337

3 𝑑 0.025 −2.07835401 −2.13398108 −1.88246712 −0.533243776 −0.273758013 −0.241492516
0.050 −1.58484188 −1.62949505 −1.42786117 −0.406623254 −0.209039964 −0.183173338
0.075 −1.15812308 −1.19294225 −1.03597816 −0.299139912 −0.153036736 −0.132900580
0.100 −0.79819287 −0.82431793 −0.70682759 −0.204792531 −0.105747722 −0.090675460

4 𝑝 0.025 −0.94991579 −0.99080017 −0.81811023 −0.243720118 −0.127104916 −0.104951366
0.050 −0.53432763 −0.56658202 −0.43230193 −0.137092566 −0.072684041 −0.055457903
0.075 −0.23747895 −0.26014869 −0.16850556 −0.060930029 −0.033373205 −0.021616756

4 𝑑 0.025 −0.94991579 −0.97155012 −0.87225543 −0.243720118 −0.124635422 −0.111897390
0.050 −0.53432763 −0.54972102 −0.47945575 −0.137092566 −0.070521025 −0.061507037
0.075 −0.23747895 −0.24720134 −0.20331998 −0.060930029 −0.031712252 −0.026082927

4 𝑓 0.025 −0.94991579 −0.96362308 −0.89872483 −0.243720118 −0.123618500 −0.115293020
0.050 −0.53432763 −0.54279613 −0.50275243 −0.137092566 −0.069632666 −0.064495655
0.075 −0.23747895 −0.24191980 −0.22098366 −0.060930029 −0.031034710 −0.028348915

5 𝑝 0.025 −0.44898364 −0.46819450 −0.38617877 −0.115195837 −0.060062386 −0.049540988
5 𝑑 0.025 −0.44898364 −0.45898506 −0.41274791 −0.115195837 −0.058880953 −0.052949414
5 𝑓 0.025 −0.44898364 −0.45518540 −0.42566677 −0.115195837 −0.058393512 −0.054606711
5 𝑔 0.025 −0.44898364 −0.45310033 −0.43320910 −0.115195837 −0.058126029 −0.055574280
6 𝑝 0.025 −0.19954881 −0.20922370 −0.16782162 −0.051198285 −0.026840287 −0.021529017
6 𝑑 0.025 −0.19954881 −0.20452162 −0.18147666 −0.051198285 −0.026237080 −0.023280755
6 𝑓 0.025 −0.19954881 −0.20257904 −0.18811182 −0.051198285 −0.025987876 −0.024131947
6 𝑔 0.025 −0.19954881 −0.20151514 −0.19198748 −0.051198285 −0.025851393 −0.024629136

a 𝑏 is in pm.