(1s 1 5s 1 ) 3 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 5.456544 | .10952607 |
| 2 | 2s | 1.671602 | -2.05508894 |
| 3 | 3s | 1.478686 | 5.87235877 |
| 4 | 4s | 1.112902 | -15.83044384 |
| 5 | 5s | 1.183390 | 12.81805870 |
| 6 | 2s | 3.848616 | .12600671 |
| 7 | 5s | 23.230035 | -.00013260 |
| 8 | 3s | 7.003067 | .00217846 |
| 9 | 4s | .587883 | .00366534 |
| ORB.ENERGY,a.u. | -.756750 | ||
| NORM | 1.000000 | < R > | 6.079132 | < R2 > | 41.386039 | < 1/R > | .243408 | < 1/R**2 > | .575847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.880941 | .75767310 |
| 2 | 1s | 7.102183 | .25599395 |
| 3 | 2s | 6.918282 | -.01555858 |
| 4 | 3s | 8.728880 | -.00022084 |
| ORB.ENERGY,a.u. | -24.277000 |
| NORM | 1.000000 | < R > | .214282 | < R2 > | .061224 | < 1/R > | 7.000232 | < 1/R**2 > | 98.006772 |
Total Energy= -25.23731906 a.u.
Kinetic Energy= 25.24047345 a.u.
Potential Energy= -50.47779251 a.u.
Virial Ratio = -1.99987503