(1s 2 2s 2 2p 4 ) 3 P Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2.767572 | .75171844 |
| 2 | 2p | 4.864693 | .25844514 |
| 3 | 2p | 9.706544 | .01703307 |
| 4 | 3p | 3.017791 | -.01364867 |
| 5 | 4p | 2.586494 | .04305428 |
| 6 | 5p | 12.557315 | .00288589 |
| ORB.ENERGY,a.u. | -2.267300 | ||
| NORM | 1.000000 | < R > | .804503 | < R2 > | .812334 | < 1/R > | 1.638738 | < 1/R**2 > | 3.810875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.335461 | .31696709 |
| 2 | 2s | 3.727398 | -.83270416 |
| 3 | 3s | 2.994779 | -.29323581 |
| 4 | 4s | 12.576447 | .01257935 |
| 5 | 3s | 14.700370 | .00598340 |
| 6 | 5s | 41.544453 | -.00004275 |
| 7 | 5s | 2.795439 | .01252450 |
| 8 | 4s | 2.028527 | -.00918514 |
| 9 | 3s | 1.436624 | .00283256 |
| 10 | 2s | 41.270559 | .00003226 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .828183 | < R2 > | .818347 | < 1/R > | 1.746776 | < 1/R**2 > | 12.539150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065110 | .86791102 |
| 2 | 1s | 13.163671 | .14062588 |
| 3 | 1s | 2.262846 | -.00288081 |
| 4 | 3s | 6.400067 | .00744774 |
| 5 | 4s | 19.366592 | .00287584 |
| 6 | 2s | 8.149475 | -.00798997 |
| 7 | 5s | 57.820549 | -.00002524 |
| 8 | 5s | 4.218191 | .00112735 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624143 | < 1/R**2 > | 187.372716 |
Total Energy= -126.37211265 a.u.
Kinetic Energy= 126.37212409 a.u.
Potential Energy= -252.74423673 a.u.
Virial Ratio = -1.99999991