(1s 1 2s 1 ) 3 S S 14+
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 | 12.280120 | .49543834 |
| 2 | 2s | 7.505057 | -.89012486 |
| 3 | 3s | 8.897753 | -.29803575 |
| 4 | 4s | 20.129769 | .00323811 |
| 5 | 5s | 8.686465 | -.01172063 |
| ORB.ENERGY,a.u. | -29.595000 | ||
| NORM | 1.000000 | < R > | .388535 | < R2 > | .175930 | < 1/R > | 3.804885 | < 1/R**2 > | 57.557753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.773274 | .88935123 |
| 2 | 1s | 18.405323 | .10538152 |
| 3 | 2s | 17.163386 | .01058880 |
| 4 | 3s | 18.223913 | -.00487743 |
| 5 | 4s | 42.828330 | .00012121 |
| 6 | 5s | 12.238162 | -.00001708 |
| ORB.ENERGY,a.u. | -125.600000 |
| NORM | 1.000000 | < R > | .093715 | < R2 > | .011712 | < 1/R > | 16.007157 | < 1/R**2 > | 512.430564 |
Total Energy= -156.88002316 a.u.
Kinetic Energy= 157.03888686 a.u.
Potential Energy= -313.91891002 a.u.
Virial Ratio = -1.99898838