(1s 2 4s 1 ) 2 S Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 7.480806 | .15545975 |
| 2 | 2s | 2.400920 | -1.54665515 |
| 3 | 3s | 2.039492 | 4.98140747 |
| 4 | 4s | 2.036922 | -4.43270185 |
| 5 | 5s | 3.180393 | .29581623 |
| 6 | 4s | 5.919484 | -.10064987 |
| 7 | 4s | 15.438420 | .00296157 |
| 8 | 5s | 42.611669 | .00006214 |
| 9 | 5s | .822272 | .00018822 |
| ORB.ENERGY,a.u. | -2.090100 | ||
| NORM | 1.000001 | < R > | 2.874764 | < R2 > | 9.296790 | < 1/R > | .514009 | < 1/R**2 > | 2.119416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.300731 | .88460565 |
| 2 | 1s | 13.462361 | .11097052 |
| 3 | 2s | 7.856220 | .01396404 |
| 4 | 3s | 8.462655 | -.00880208 |
| 5 | 4s | 18.130761 | .00468422 |
| 6 | 5s | 21.102769 | -.00047585 |
| 7 | 5s | 8.307892 | .00028050 |
| ORB.ENERGY,a.u. | -43.398000 |
| NORM | 1.000000 | < R > | .155885 | < R2 > | .032563 | < 1/R > | 9.686473 | < 1/R**2 > | 189.279557 |
Total Energy= -95.94950299 a.u.
Kinetic Energy= 95.94951873 a.u.
Potential Energy= -191.89902172 a.u.
Virial Ratio = -1.99999984