(1s 2 2s 2 2p 1 3d 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 10.965862 | .00030306 |
| 2 | 3d | 1.353975 | .94004521 |
| 3 | 3d | 3.556836 | .01538485 |
| 4 | 5d | 1.245679 | -.01373688 |
| 5 | 4d | 1.249210 | .06899655 |
| 6 | 5d | 8.764708 | -.00074473 |
| 7 | 4d | 6.489149 | .00531730 |
| ORB.ENERGY,a.u. | -.885250 | ||
| NORM | 1.000000 | < R > | 2.608417 | < R2 > | 7.806595 | < 1/R > | .450679 | < 1/R**2 > | .247362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.110125 | .87499020 |
| 2 | 2p | 5.043417 | .13156774 |
| 3 | 2p | 10.370081 | .00813806 |
| 4 | 3p | 1.733525 | -.00261438 |
| 5 | 4p | 2.792346 | .01099567 |
| 6 | 4p | 15.889756 | -.00069208 |
| ORB.ENERGY,a.u. | -3.640200 | ||
| NORM | 1.000000 | < R > | .761274 | < R2 > | .706348 | < 1/R > | 1.675727 | < 1/R**2 > | 3.848124 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.083991 | .30714783 |
| 2 | 2s | 2.893497 | -.78485823 |
| 3 | 3s | 4.678888 | -.27026186 |
| 4 | 4s | 16.487410 | .00239201 |
| 5 | 5s | 9.200525 | -.01718850 |
| 6 | 5s | 3.301654 | .02834290 |
| 7 | 4s | 35.327839 | .00003897 |
| 8 | 4s | 2.675508 | -.00808521 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .846004 | < R2 > | .842244 | < 1/R > | 1.706859 | < 1/R**2 > | 11.810399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.336156 | .00124897 |
| 2 | 1s | 8.053005 | .85111001 |
| 3 | 1s | 12.613187 | .14431937 |
| 4 | 2s | 11.022133 | .02092352 |
| 5 | 3s | 9.811026 | -.01581921 |
| 6 | 4s | 15.752262 | .00478308 |
| 7 | 5s | 28.711477 | .00028155 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174831 | < R2 > | .041065 | < 1/R > | 8.657473 | < 1/R**2 > | 151.550748 |
Total Energy= -93.05040776 a.u.
Kinetic Energy= 93.01203725 a.u.
Potential Energy= -186.06244501 a.u.
Virial Ratio = -2.00041253