(1s 2 4s 1 ) 2 S P 12+
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 | 10.395471 | .18855273 |
| 2 | 2s | 3.926606 | -1.64678141 |
| 3 | 3s | 3.277894 | 5.20064813 |
| 4 | 4s | 3.277528 | -4.60007671 |
| 5 | 5s | 4.963302 | .30091243 |
| 6 | 4s | 8.993014 | -.09241330 |
| 7 | 5s | 27.013654 | .00149229 |
| 8 | 4s | 35.359461 | .00042352 |
| 9 | 5s | 1.562814 | .00024490 |
| ORB.ENERGY,a.u. | -5.440900 | ||
| NORM | 1.000001 | < R > | 1.796441 | < R2 > | 3.630361 | < 1/R > | .826876 | < 1/R**2 > | 5.486796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.430059 | .93851080 |
| 2 | 1s | 22.829143 | .04913572 |
| 3 | 2s | 17.497388 | .01707894 |
| 4 | 3s | 13.375499 | .00074732 |
| 5 | 4s | 48.308059 | -.00067386 |
| 6 | 5s | 57.205934 | .00022484 |
| 7 | 3s | 77.533318 | -.00004314 |
| ORB.ENERGY,a.u. | -102.690000 |
| NORM | 1.000000 | < R > | .102580 | < R2 > | .014076 | < 1/R > | 14.686321 | < 1/R**2 > | 433.828297 |
Total Energy= -221.16570131 a.u.
Kinetic Energy= 221.16567535 a.u.
Potential Energy= -442.33137667 a.u.
Virial Ratio = -2.00000012