(1s1s) 1 S Z=35 Br 33+
Table 1. Novikov N.V. // Wave Function Value Database http://cdfe.sinp.msu.ru/services/wftables/
| j | R n1,l1 (α1,r) | R n2,l2 (α2,r) | g | ||
| n1 l1 | α1 | n2 l2 | α2 | ||
| 1 | 1s | 31.4510 | 1s | 37.7335 | 0.7145141243073397E+00 |
| 2 | 1s | 51.6411 | 4s | 197.2640 | 0.1207528870079404E-02 |
| 3 | 1s | 70.7324 | 2s | 120.5128 | -0.2029220113032845E-02 |
| 4 | 2s | 132.0721 | 4s | 252.0497 | 0.3786924858828901E-03 |
| 5 | 1s | 43.1852 | 3s | 97.8299 | -0.6009063785424728E-02 |
| 6 | 1s | 54.7641 | 2s | 87.5613 | 0.7495253163983993E-02 |
| 7 | 2s | 137.3549 | 3s | 190.2731 | -0.2214993785352753E-03 |
| 8 | 3s | 204.9221 | 4s | 224.8516 | -0.3786924858828901E-03 |
| 9 | 4s | 290.6214 | 5s | 317.3802 | -0.1571931073476147E-03 |
| 10 | 2p | 92.1030 | 2p | 92.1030 | 0.4279939604600965E-02 |
| 11 | 2p | 186.5386 | 3p | 199.3368 | 0.7573849717657801E-03 |
| 12 | 4p | 280.9922 | 4p | 280.9922 | 0.3000959322090827E-03 |
| 13 | 2p | 108.6552 | 4p | 248.6885 | -0.5573210169597250E-03 |
| 14 | 3p | 490.2023 | 4p | 476.9789 | 0.7145141243073398E-04 |
| 15 | 3d | 242.1895 | 3d | 242.1895 | -0.7216592655504132E-03 |
| 16 | 4d | 371.1938 | 4d | 371.1938 | -0.3358216384244497E-03 |
| 17 | 5d | 511.4554 | 5d | 511.4554 | -0.1214674011322478E-03 |
| 18 | 3d | 121.2143 | 5d | 337.3054 | -0.1071771186461010E-03 |
| 19 | 4f | 402.7570 | 4f | 402.7570 | 0.2858056497229359E-03 |
| 20 | 5f | 526.9530 | 5f | 526.9530 | 0.1429028248614680E-03 |
| 21 | 5g | 587.4586 | 5g | 587.4586 | -0.1357576836183946E-03 |
Energy= -1203.28142123 a.u.
Table 2. Clementi E., Roetti C. // At. Data Nucl. Data Tables 14, 177, (1974)
Ψ( r 1 , r 2 ) = F( r 1 ) F( r 2 ) ; F( r ) = Σ j C j φ 1s ( α j , r )
| j | R n,l (α,r) | C | |
| n l | α | ||
| 1 | 1s | 34.45160 | 0.99097 |
| 2 | 1s | 63.13470 | 0.01239 |
| 3 | 1s | 75.96420 | -0.00227 |
Energy= -1203.2360 a.u.