(1s 2 2s 2 ) 3 S Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 9.403847 | .36581226 |
| 2 | 2s | 4.267453 | -.76806479 |
| 3 | 3s | 5.391195 | -.28967754 |
| 4 | 5s | 9.949089 | -.02739149 |
| 5 | 4s | 19.463438 | .00195564 |
| 6 | 5s | 13.551276 | -.00671729 |
| 7 | 2s | 28.415488 | -.00006658 |
| ORB.ENERGY,a.u. | -9.570900 | ||
| NORM | 1.000000 | < R > | .635865 | < R2 > | .472663 | < 1/R > | 2.291314 | < 1/R**2 > | 21.166869 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.453611 | .94473624 |
| 2 | 1s | 17.510217 | .04642541 |
| 3 | 2s | 13.205694 | .01245403 |
| 4 | 3s | 10.846339 | .00192328 |
| 5 | 4s | 42.588479 | -.00073485 |
| 6 | 5s | 56.412705 | .00027402 |
| 7 | 5s | 11.895897 | .00137082 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141457 | < R2 > | .026816 | < 1/R > | 10.672462 | < 1/R**2 > | 229.677274 |
Total Energy= -134.78839481 a.u.
Kinetic Energy= 134.78839472 a.u.
Potential Energy= -269.57678953 a.u.
Virial Ratio = -2.00000000