(1s 1 4s 1 ) 3 S Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 6.242158 | .22627489 |
| 2 | 2s | 3.293494 | -1.16950437 |
| 3 | 3s | 2.077735 | 5.38660641 |
| 4 | 4s | 2.221153 | -5.51991536 |
| 5 | 5s | 3.358594 | .40053303 |
| 6 | 4s | 5.974429 | -.07338420 |
| 7 | 5s | 36.005048 | -.00007703 |
| ORB.ENERGY,a.u. | -2.662400 | ||
| NORM | 1.000000 | < R > | 2.604083 | < R2 > | 7.627664 | < 1/R > | .569192 | < 1/R**2 > | 2.547832 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.844207 | .75701841 |
| 2 | 1s | 10.102123 | .25672788 |
| 3 | 2s | 9.903057 | -.01566752 |
| 4 | 3s | 12.275334 | -.00027542 |
| 5 | 4s | 10.359340 | .00009847 |
| ORB.ENERGY,a.u. | -49.537000 |
| NORM | 1.000000 | < R > | .149997 | < R2 > | .030000 | < 1/R > | 10.000501 | < 1/R**2 > | 200.020926 |
Total Energy= -52.58347676 a.u.
Kinetic Energy= 52.59331953 a.u.
Potential Energy= -105.17679629 a.u.
Virial Ratio = -1.99981285