(1s 2 2s 2 2p 1 5d 1 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.626205 | 1.26111175 |
| 2 | 4d | 1.334187 | -3.66441051 |
| 3 | 5d | 1.200829 | 3.07065653 |
| 4 | 3d | 3.691121 | .06321777 |
| 5 | 5d | 5.693218 | -.01041028 |
| 6 | 5d | .919565 | -.01963654 |
| 7 | 4d | 19.036410 | .00008056 |
| 8 | 3d | 25.413039 | .00001399 |
| ORB.ENERGY,a.u. | -.747270 | ||
| NORM | .999999 | < R > | 5.521249 | < R2 > | 34.620847 | < 1/R > | .253491 | < 1/R**2 > | .135916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.147880 | 1.07456625 |
| 2 | 3p | 5.006573 | -.10504963 |
| 3 | 2p | 9.861596 | .02879049 |
| 4 | 5p | 12.508490 | .00553663 |
| 5 | 4p | 24.645290 | -.00029983 |
| 6 | 5p | 4.315524 | .01211986 |
| 7 | 5p | 79.243951 | -.00000476 |
| 8 | 4p | 3.437712 | -.00486970 |
| ORB.ENERGY,a.u. | -7.407700 | ||
| NORM | 1.000000 | < R > | .584391 | < R2 > | .415080 | < 1/R > | 2.174649 | < 1/R**2 > | 6.445994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.718669 | .33589245 |
| 2 | 2s | 3.810841 | -.79541872 |
| 3 | 3s | 5.827677 | -.27456894 |
| 4 | 4s | 20.919389 | .00159036 |
| 5 | 5s | 11.468547 | -.01580316 |
| 6 | 5s | 4.310783 | .02280305 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657412 | < R2 > | .506823 | < 1/R > | 2.211384 | < 1/R**2 > | 19.812233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213804 | .92139228 |
| 2 | 1s | 15.996904 | .08128622 |
| 3 | 2s | 8.831413 | .01659440 |
| 4 | 3s | 11.372107 | -.01613873 |
| 5 | 4s | 53.587945 | -.00008374 |
| 6 | 5s | 25.510311 | .00100542 |
| 7 | 4s | 5.162138 | .00007798 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141851 | < R2 > | .026999 | < 1/R > | 10.653493 | < 1/R**2 > | 229.045737 |
Total Energy= -143.18711564 a.u.
Kinetic Energy= 143.19355125 a.u.
Potential Energy= -286.38066689 a.u.
Virial Ratio = -1.99995506