(1s 2 2s 2 2p 2 3d 1 ) 2 D Na 4+
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 | 1.671065 | 1.02222055 |
| 2 | 3d | 5.199205 | .01679135 |
| 3 | 4d | 2.166686 | -.02823349 |
| 4 | 5d | 16.007754 | -.00012208 |
| ORB.ENERGY,a.u. | -1.386500 | ||
| NORM | 1.000000 | < R > | 2.082285 | < R2 > | 4.975334 | < 1/R > | .564594 | < 1/R**2 > | .388227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.872465 | 1.21301955 |
| 2 | 3p | 4.703800 | -.23854878 |
| 3 | 2p | 10.487697 | .02278528 |
| 4 | 4p | 11.310606 | .00581158 |
| 5 | 5p | 23.166213 | -.00035930 |
| 6 | 5p | 2.335981 | -.00162053 |
| 7 | 4p | 2.430339 | .00273079 |
| ORB.ENERGY,a.u. | -5.583900 | ||
| NORM | 1.000000 | < R > | .611109 | < R2 > | .456316 | < 1/R > | 2.092580 | < 1/R**2 > | 6.011788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.984387 | .36403376 |
| 2 | 2s | 4.431204 | -.82909724 |
| 3 | 3s | 4.447034 | -.26928152 |
| 4 | 4s | 17.662290 | .00278034 |
| 5 | 3s | 10.787554 | .01853864 |
| 6 | 5s | 4.408986 | -.03990486 |
| 7 | 5s | 2.814320 | -.00071565 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .681265 | < R2 > | .546677 | < 1/R > | 2.131027 | < 1/R**2 > | 18.491023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126456 | .89426549 |
| 2 | 1s | 15.403278 | .10610259 |
| 3 | 2s | 9.654172 | .01800107 |
| 4 | 3s | 11.798432 | -.01487843 |
| 5 | 5s | 26.557343 | .00135722 |
| 6 | 4s | 68.193165 | -.00003314 |
| 7 | 5s | 8.560185 | .00096600 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142184 | < R2 > | .027155 | < 1/R > | 10.637784 | < 1/R**2 > | 228.525724 |
Total Energy= -150.21676854 a.u.
Kinetic Energy= 150.15710506 a.u.
Potential Energy= -300.37387360 a.u.
Virial Ratio = -2.00039734