(1s 2 2s 2 2p 4 3d 1 ) 2 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3d- electron | |
| 1 | 3d | .677749 | .98893709 |
| 2 | 5d | 5.246087 | -.00053571 |
| 3 | 3d | 3.508887 | .00472681 |
| 4 | 4d | 1.683312 | .00534482 |
| 5 | 5d | .683803 | .00880082 |
| 6 | 4d | 18.713657 | .00001129 |
| ORB.ENERGY,a.u. | -.225040 | ||
| NORM | 1.000000 | < R > | 5.168309 | < R2 > | 30.579944 | < 1/R > | .226412 | < 1/R**2 > | .061910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.646940 | .67311400 |
| 2 | 2p | 4.500472 | .37094376 |
| 3 | 2p | 11.068410 | .01094034 |
| 4 | 3p | 1.872059 | .03511986 |
| 5 | 4p | 6.588123 | -.02890534 |
| 6 | 4p | 1.793409 | -.01015542 |
| 7 | 5p | 22.923316 | -.00017094 |
| ORB.ENERGY,a.u. | -1.968200 | ||
| NORM | 1.000000 | < R > | .804505 | < R2 > | .812253 | < 1/R > | 1.638680 | < 1/R**2 > | 3.810614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313753 | .31816318 |
| 2 | 2s | 3.749411 | -.82008966 |
| 3 | 3s | 3.039142 | -.30529055 |
| 4 | 4s | 13.095735 | .01374753 |
| 5 | 3s | 17.051534 | .00257602 |
| 6 | 5s | 25.747333 | .00052861 |
| 7 | 5s | 1.976076 | -.00728026 |
| 8 | 3s | 1.536079 | .01007208 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828402 | < R2 > | .818906 | < 1/R > | 1.746455 | < 1/R**2 > | 12.535323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241171 | .89713135 |
| 2 | 1s | 13.927767 | .09961205 |
| 3 | 1s | 9.003659 | .00053956 |
| 4 | 2s | 6.911239 | .01558806 |
| 5 | 3s | 10.788416 | -.00726817 |
| 6 | 4s | 18.592674 | .00290233 |
| 7 | 5s | 61.974437 | -.00003327 |
| 8 | 5s | 5.209102 | .00052502 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624151 | < 1/R**2 > | 187.372968 |
Total Energy= -126.59925265 a.u.
Kinetic Energy= 126.59716293 a.u.
Potential Energy= -253.19641558 a.u.
Virial Ratio = -2.00001651