(1s 2 2s 2 5p 1 ) 2 P F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.247226 | 1.52428300 |
| 2 | 3p | 1.444782 | -3.56467009 |
| 3 | 4p | 1.075336 | 5.90612376 |
| 4 | 5p | 1.037452 | -4.75345438 |
| 5 | 2p | 5.047170 | .05347592 |
| 6 | 5p | 2.295701 | .13568381 |
| 7 | 3p | 9.321729 | -.00299647 |
| ORB.ENERGY,a.u. | -.539750 | ||
| NORM | 1.000006 | < R > | 6.760707 | < R2 > | 51.435367 | < 1/R > | .215900 | < 1/R**2 > | .170931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.769707 | .34165353 |
| 2 | 2s | 3.369817 | -.76008515 |
| 3 | 3s | 4.560135 | -.29694738 |
| 4 | 4s | 11.828910 | .00973285 |
| 5 | 5s | 4.230167 | -.03746741 |
| 6 | 3s | 11.906627 | .00749000 |
| 7 | 5s | 48.914989 | -.00004553 |
| 8 | 4s | 1.823220 | .00010853 |
| ORB.ENERGY,a.u. | -5.448600 | ||
| NORM | 1.000000 | < R > | .809464 | < R2 > | .766964 | < 1/R > | 1.787285 | < 1/R**2 > | 12.877644 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.055513 | .84912745 |
| 2 | 1s | 12.488488 | .14840375 |
| 3 | 2s | 10.651319 | .02095122 |
| 4 | 3s | 9.955956 | -.01556846 |
| 5 | 4s | 17.024974 | .00427501 |
| 6 | 5s | 9.939430 | -.00216022 |
| ORB.ENERGY,a.u. | -31.682000 |
| NORM | 1.000000 | < R > | .174328 | < R2 > | .040776 | < 1/R > | 8.673113 | < 1/R**2 > | 151.971298 |
Total Energy= -88.47372418 a.u.
Kinetic Energy= 88.47372002 a.u.
Potential Energy= -176.94744420 a.u.
Virial Ratio = -2.00000005