(1s 2 2s 2 2p 2 3d 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 1.042317 | .95884841 |
| 2 | 5d | 6.046779 | -.00055989 |
| 3 | 3d | 3.293030 | .02546190 |
| 4 | 4d | 2.246688 | .02774865 |
| 5 | 5d | 1.031229 | .01382596 |
| 6 | 4d | 20.668416 | .00002530 |
| ORB.ENERGY,a.u. | -.519060 | ||
| NORM | 1.000000 | < R > | 3.308317 | < R2 > | 12.617122 | < 1/R > | .357652 | < 1/R**2 > | .157255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.798241 | .80081699 |
| 2 | 2p | 4.633261 | .20536023 |
| 3 | 2p | 9.472271 | .01151338 |
| 4 | 3p | 1.857089 | .02647149 |
| 5 | 4p | 1.589106 | -.01433909 |
| 6 | 5p | 19.521348 | -.00036595 |
| 7 | 5p | 1.591110 | .00486197 |
| 8 | 3p | 12.668344 | -.00067187 |
| ORB.ENERGY,a.u. | -2.759700 | ||
| NORM | 1.000000 | < R > | .818700 | < R2 > | .825032 | < 1/R > | 1.575957 | < 1/R**2 > | 3.446984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.450998 | .33208724 |
| 2 | 2s | 3.411819 | -.85033332 |
| 3 | 3s | 3.090634 | -.25884965 |
| 4 | 4s | 10.582338 | .01406289 |
| 5 | 3s | 11.639150 | .01092678 |
| 6 | 5s | 3.032086 | -.01278933 |
| 7 | 5s | 39.372385 | -.00009246 |
| 8 | 3s | .923061 | -.00014751 |
| 9 | 2s | 64.296047 | .00000657 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .882019 | < R2 > | .920223 | < 1/R > | 1.634844 | < 1/R**2 > | 10.885680 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277077 | .68818905 |
| 2 | 1s | 12.188058 | .22299270 |
| 3 | 1s | 2.399957 | .00422423 |
| 4 | 2s | 9.067858 | .12782959 |
| 5 | 3s | 10.347066 | -.02728409 |
| 6 | 4s | 17.144223 | .00417535 |
| 7 | 5s | 4.351928 | -.00106385 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175222 | < R2 > | .041294 | < 1/R > | 8.645568 | < 1/R**2 > | 151.232849 |
Total Energy= -95.83965293 a.u.
Kinetic Energy= 95.83869324 a.u.
Potential Energy= -191.67834617 a.u.
Virial Ratio = -2.00001001