(1s 2 2s 2 2p 3 4d 1 ) 5 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 4d- electron | |
| 1 | 3d | 1.205552 | 1.14561759 |
| 2 | 4d | 1.019691 | -1.70109134 |
| 3 | 3d | 3.848497 | .04996121 |
| 4 | 4d | 2.647236 | .05308816 |
| 5 | 5d | 5.967914 | -.00201418 |
| 6 | 4d | 25.247716 | .00002584 |
| ORB.ENERGY,a.u. | -.525440 | ||
| NORM | .999999 | < R > | 4.921218 | < R2 > | 27.898990 | < 1/R > | .276294 | < 1/R**2 > | .132833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.752142 | 1.50764794 |
| 2 | 3p | 4.869234 | -.65633354 |
| 3 | 4p | 6.057689 | .14151781 |
| 4 | 5p | 18.443655 | -.00342615 |
| 5 | 4p | 2.362086 | .01731952 |
| 6 | 4p | 24.319427 | -.00155771 |
| 7 | 5p | 2.350728 | -.00870605 |
| 8 | 3p | 33.877615 | -.00013597 |
| ORB.ENERGY,a.u. | -4.785900 | ||
| NORM | 1.000000 | < R > | .645662 | < R2 > | .513399 | < 1/R > | 1.998264 | < 1/R**2 > | 5.535953 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.019965 | .34963462 |
| 2 | 2s | 4.337469 | -.83427507 |
| 3 | 3s | 3.946905 | -.27974974 |
| 4 | 4s | 17.395607 | .00188672 |
| 5 | 3s | 11.191420 | .01782880 |
| 6 | 5s | 4.079481 | -.01815009 |
| 7 | 2s | 44.830518 | .00001639 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .703753 | < R2 > | .585546 | < 1/R > | 2.060212 | < 1/R**2 > | 17.353477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165792 | .90295868 |
| 2 | 1s | 15.521049 | .09697179 |
| 3 | 2s | 8.955077 | .01717281 |
| 4 | 3s | 12.697747 | -.01503465 |
| 5 | 4s | 20.249589 | .00391595 |
| 6 | 5s | 39.768236 | .00009153 |
| 7 | 5s | 7.513279 | .00088401 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142446 | < R2 > | .027279 | < 1/R > | 10.625691 | < 1/R**2 > | 228.127961 |
Total Energy= -154.37474069 a.u.
Kinetic Energy= 154.38077580 a.u.
Potential Energy= -308.75551649 a.u.
Virial Ratio = -1.99996091