(1s 2 2s 2 2p 4 5d 1 ) 2 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | .501724 | 1.66084591 |
| 2 | 4d | .424293 | -4.61122627 |
| 3 | 5d | .393890 | 3.74258926 |
| 4 | 3d | 3.428360 | .00283904 |
| 5 | 4d | .300380 | -.08599239 |
| 6 | 5d | 2.163424 | .00350645 |
| 7 | 4d | 11.615512 | .00004215 |
| ORB.ENERGY,a.u. | -.080599 | ||
| NORM | 1.000008 | < R > | 17.110463 | < R2 > | 332.183712 | < 1/R > | .080967 | < 1/R**2 > | .013335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.639334 | .66990412 |
| 2 | 2p | 4.489621 | .37537402 |
| 3 | 2p | 11.085107 | .01089800 |
| 4 | 3p | 1.943853 | .03078252 |
| 5 | 4p | 6.602590 | -.02922143 |
| 6 | 4p | 1.859400 | -.00632936 |
| 7 | 5p | 22.815593 | -.00017428 |
| ORB.ENERGY,a.u. | -2.161100 | ||
| NORM | 1.000000 | < R > | .804497 | < R2 > | .812304 | < 1/R > | 1.638737 | < 1/R**2 > | 3.810866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311700 | .31831413 |
| 2 | 2s | 3.740042 | -.82569430 |
| 3 | 3s | 3.016165 | -.30116587 |
| 4 | 4s | 12.792658 | .01221524 |
| 5 | 3s | 14.521454 | .00429711 |
| 6 | 5s | 26.672862 | .00032881 |
| 7 | 5s | 2.036189 | -.02279967 |
| 8 | 4s | 1.821174 | .02757218 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828250 | < R2 > | .818513 | < 1/R > | 1.746675 | < 1/R**2 > | 12.537932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241937 | .89829273 |
| 2 | 1s | 13.939769 | .09839019 |
| 3 | 1s | 14.388290 | .00065427 |
| 4 | 2s | 6.901867 | .01561395 |
| 5 | 3s | 10.762952 | -.00730056 |
| 6 | 4s | 18.593553 | .00284442 |
| 7 | 5s | 61.321123 | -.00003547 |
| 8 | 5s | 5.184347 | .00051621 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624145 | < 1/R**2 > | 187.372769 |
Total Energy= -126.45365492 a.u.
Kinetic Energy= 126.45272556 a.u.
Potential Energy= -252.90638048 a.u.
Virial Ratio = -2.00000735