(1s 2 2s 2 2p 1 3p 1 ) 3 S Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 3p- electron | |
| 1 | 2p | 3.295367 | .50097538 |
| 2 | 3p | 2.144088 | -1.23544005 |
| 3 | 2p | 7.047668 | .07952951 |
| 4 | 4p | 8.062760 | .02511597 |
| 5 | 5p | 2.201595 | .06354618 |
| 6 | 5p | 14.653449 | .00183617 |
| 7 | 4p | 2.009214 | -.05160048 |
| 8 | 4p | 25.529994 | .00006411 |
| ORB.ENERGY,a.u. | -2.358400 | ||
| NORM | 1.000000 | < R > | 1.767943 | < R2 > | 3.565879 | < 1/R > | .759336 | < 1/R**2 > | 1.199525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.137904 | 1.09285353 |
| 2 | 3p | 4.743831 | -.12819325 |
| 3 | 2p | 9.840579 | .02906179 |
| 4 | 5p | 12.096083 | .00502970 |
| 5 | 4p | 23.277664 | -.00049887 |
| 6 | 5p | 73.301717 | -.00000923 |
| 7 | 5p | 4.083273 | .01303784 |
| 8 | 4p | 3.795060 | -.00034422 |
| ORB.ENERGY,a.u. | -6.989200 | ||
| NORM | 1.000000 | < R > | .581200 | < R2 > | .411082 | < 1/R > | 2.187373 | < 1/R**2 > | 6.518663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.727711 | .33384206 |
| 2 | 2s | 3.793916 | -.79514495 |
| 3 | 3s | 5.809109 | -.27408028 |
| 4 | 4s | 20.936146 | .00151132 |
| 5 | 5s | 11.516315 | -.01543645 |
| 6 | 5s | 4.548872 | .02091548 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660651 | < R2 > | .512370 | < 1/R > | 2.200832 | < 1/R**2 > | 19.639950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.212504 | .92207386 |
| 2 | 1s | 16.038027 | .08056235 |
| 3 | 2s | 8.886034 | .01664860 |
| 4 | 3s | 11.568678 | -.01610284 |
| 5 | 4s | 56.180315 | -.00007399 |
| 6 | 5s | 25.156185 | .00114597 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141917 | < R2 > | .027028 | < 1/R > | 10.650191 | < 1/R**2 > | 228.934122 |
Total Energy= -144.79615084 a.u.
Kinetic Energy= 144.80385580 a.u.
Potential Energy= -289.60000664 a.u.
Virial Ratio = -1.99994679