(1s 2 2s 2 2p 2 5s 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 8.494892 | .03778117 |
| 2 | 2s | 2.506487 | -.21317692 |
| 3 | 3s | 1.153438 | 1.10965502 |
| 4 | 4s | .834716 | -2.71951054 |
| 5 | 5s | .701836 | 2.39406582 |
| 6 | 5s | 7.814439 | -.01140028 |
| 7 | 4s | 18.176241 | .00180273 |
| 8 | 5s | 25.182498 | -.00053244 |
| 9 | 2s | 10.711708 | .00359328 |
| ORB.ENERGY,a.u. | -.240000 | ||
| NORM | 1.000003 | < R > | 9.411281 | < R2 > | 99.148123 | < 1/R > | .150158 | < 1/R**2 > | .221630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.769415 | .81982908 |
| 2 | 2p | 4.696036 | .20403311 |
| 3 | 2p | 10.131563 | .00897324 |
| 4 | 3p | 1.956319 | .01901871 |
| 5 | 4p | 3.232622 | -.01637311 |
| 6 | 5p | 21.209439 | -.00028722 |
| 7 | 5p | 2.043029 | -.00420778 |
| 8 | 4p | 89.606453 | .00000216 |
| ORB.ENERGY,a.u. | -3.040100 | ||
| NORM | 1.000000 | < R > | .818004 | < R2 > | .823480 | < 1/R > | 1.576904 | < 1/R**2 > | 3.450215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.459835 | .33179733 |
| 2 | 2s | 3.409852 | -.84967315 |
| 3 | 3s | 3.115743 | -.25611198 |
| 4 | 4s | 10.478359 | .01254738 |
| 5 | 3s | 11.260977 | .01249829 |
| 6 | 5s | 3.170636 | -.01355469 |
| 7 | 4s | .906312 | .01455838 |
| 8 | 2s | .454186 | -.01507341 |
| 9 | 5s | 37.953341 | -.00007443 |
| 10 | 2s | 48.008380 | .00001462 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880999 | < R2 > | .918459 | < 1/R > | 1.636418 | < 1/R**2 > | 10.904087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.281786 | .68764422 |
| 2 | 1s | 12.186540 | .22272215 |
| 3 | 1s | 2.820650 | .00584654 |
| 4 | 2s | 9.063888 | .12754837 |
| 5 | 3s | 10.182677 | -.02743126 |
| 6 | 4s | 16.934511 | .00371330 |
| 7 | 5s | 5.071289 | -.00117175 |
| 8 | 5s | 59.084442 | -.00001907 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175224 | < R2 > | .041295 | < 1/R > | 8.645477 | < 1/R**2 > | 151.229957 |
Total Energy= -95.55799009 a.u.
Kinetic Energy= 95.55950582 a.u.
Potential Energy= -191.11749591 a.u.
Virial Ratio = -1.99998414