(1s 1 3s 1 ) 3 S Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 6.346837 | .34160001 |
| 2 | 2s | 3.366286 | -1.66292700 |
| 3 | 3s | 3.019142 | 2.17732561 |
| 4 | 4s | 5.023376 | -.15033457 |
| 5 | 5s | 8.841499 | -.01501211 |
| 6 | 5s | 3.026971 | .01339344 |
| 7 | 4s | 32.762158 | -.00005114 |
| 8 | 3s | 2.328378 | -.01956849 |
| ORB.ENERGY,a.u. | -4.722800 | ||
| NORM | 1.000000 | < R > | 1.453185 | < R2 > | 2.397554 | < 1/R > | 1.015986 | < 1/R**2 > | 6.102105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.844689 | .75707872 |
| 2 | 1s | 10.101728 | .25674576 |
| 3 | 2s | 10.057975 | -.01507025 |
| 4 | 3s | 11.466953 | -.00083502 |
| 5 | 4s | 12.986768 | .00010502 |
| 6 | 5s | 19.960159 | -.00017004 |
| ORB.ENERGY,a.u. | -49.167000 |
| NORM | 1.000000 | < R > | .149988 | < R2 > | .029999 | < 1/R > | 10.001373 | < 1/R**2 > | 200.055594 |
Total Energy= -54.62610593 a.u.
Kinetic Energy= 54.65044194 a.u.
Potential Energy= -109.27654787 a.u.
Virial Ratio = -1.99955470