(1s 2 2p 1 ) 2 P Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 4.069482 | .96899034 |
| 2 | 2p | 10.111024 | .01299733 |
| 3 | 2p | 11.738694 | .00559369 |
| 4 | 3p | 7.001936 | .02433590 |
| 5 | 4p | 8.179765 | -.00532485 |
| 6 | 5p | 4.977160 | .00282812 |
| 7 | 5p | 22.954302 | -.00026294 |
| ORB.ENERGY,a.u. | -8.189100 | ||
| NORM | 1.000000 | < R > | .606644 | < R2 > | .443586 | < 1/R > | 2.075146 | < 1/R**2 > | 5.809031 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.280371 | .89011520 |
| 2 | 1s | 13.669745 | .10581685 |
| 3 | 2s | 7.767134 | .01500201 |
| 4 | 3s | 9.234029 | -.00774466 |
| 5 | 4s | 18.061505 | .00312007 |
| 6 | 5s | 65.467017 | -.00002839 |
| 7 | 5s | 4.948132 | .00005135 |
| ORB.ENERGY,a.u. | -41.774000 |
| NORM | 1.000000 | < R > | .156424 | < R2 > | .032836 | < 1/R > | 9.664996 | < 1/R**2 > | 188.629033 |
Total Energy= -102.04620492 a.u.
Kinetic Energy= 102.04620747 a.u.
Potential Energy= -204.09241239 a.u.
Virial Ratio = -1.99999998