(1s 2 2s 2 2p 2 3d 1 ) 4 F S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | 3.471475 | 1.10754578 |
| 2 | 3d | 7.338179 | .04537371 |
| 3 | 4d | 3.977238 | -.13510955 |
| 4 | 5d | 23.997155 | -.00026243 |
| 5 | 5d | 3.534678 | -.00587107 |
| ORB.ENERGY,a.u. | -5.869900 | ||
| NORM | 1.000000 | < R > | .966994 | < R2 > | 1.079914 | < 1/R > | 1.223883 | < 1/R**2 > | 1.832917 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.227564 | 1.17360002 |
| 2 | 3p | 7.322625 | -.19763672 |
| 3 | 2p | 15.292123 | .01950932 |
| 4 | 4p | 16.720471 | .00429884 |
| 5 | 5p | 35.328445 | -.00025979 |
| 6 | 5p | 5.001112 | .00187057 |
| ORB.ENERGY,a.u. | -17.398000 | ||
| NORM | 1.000000 | < R > | .381086 | < R2 > | .176628 | < 1/R > | 3.333450 | < 1/R**2 > | 15.114764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.625375 | .42052197 |
| 2 | 2s | 6.965196 | -.86171535 |
| 3 | 3s | 7.034244 | -.28430891 |
| 4 | 4s | 26.440215 | .00208891 |
| 5 | 3s | 15.297048 | .01549791 |
| 6 | 5s | 6.874101 | -.02242345 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434836 | < R2 > | .221794 | < 1/R > | 3.372980 | < 1/R**2 > | 46.193012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112858 | .92671945 |
| 2 | 1s | 23.113123 | .07200561 |
| 3 | 2s | 14.142581 | .01946871 |
| 4 | 3s | 17.754712 | -.01558647 |
| 5 | 5s | 37.765548 | .00090048 |
| 6 | 4s | 89.102800 | -.00003606 |
| 7 | 5s | 11.686223 | .00038472 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096553 | < R2 > | .012496 | < 1/R > | 15.627384 | < 1/R**2 > | 491.773045 |
Total Energy= -340.70680747 a.u.
Kinetic Energy= 340.79879533 a.u.
Potential Energy= -681.50560280 a.u.
Virial Ratio = -1.99973008