(1s 2 2s 2 2p 5 4d 1 ) 1 F P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 4d- electron | |
| 1 | 3d | 1.762239 | 1.24045893 |
| 2 | 4d | 1.521196 | -1.78282666 |
| 3 | 3d | 5.733442 | .04007936 |
| 4 | 4d | 3.881682 | .04408090 |
| 5 | 5d | 8.873532 | -.00253509 |
| 6 | 4d | 35.790722 | .00001909 |
| ORB.ENERGY,a.u. | -1.169600 | ||
| NORM | 1.000001 | < R > | 3.328046 | < R2 > | 12.736446 | < 1/R > | .405321 | < 1/R**2 > | .280804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 11.287628 | .07629323 |
| 2 | 4p | 13.560469 | .01370213 |
| 3 | 5p | 4.094841 | .00064349 |
| 4 | 3p | 41.064442 | .00003783 |
| 5 | 2p | 4.849526 | 1.22885051 |
| 6 | 3p | 5.716421 | -.30817418 |
| 7 | 4p | 1.444353 | -.00013577 |
| ORB.ENERGY,a.u. | -9.181400 | ||
| NORM | 1.000000 | < R > | .459469 | < R2 > | .260814 | < 1/R > | 2.817021 | < 1/R**2 > | 11.026910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.137997 | .37225530 |
| 2 | 2s | 6.146108 | -.83444640 |
| 3 | 3s | 5.423568 | -.30283644 |
| 4 | 4s | 18.505301 | .00422363 |
| 5 | 3s | 17.382994 | .00672851 |
| 6 | 5s | 36.609306 | .00041787 |
| 7 | 5s | 4.787322 | -.00288766 |
| 8 | 4s | 2.993781 | .00041707 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501510 | < R2 > | .297352 | < 1/R > | 2.910798 | < 1/R**2 > | 34.780262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92330164 |
| 2 | 1s | 20.989774 | .07299046 |
| 3 | 2s | 8.545366 | .02100495 |
| 4 | 3s | 10.658372 | -.02130177 |
| 5 | 4s | 13.405790 | .01067393 |
| 6 | 5s | 35.738667 | .00080038 |
| 7 | 4s | 81.321608 | -.00003961 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103671 | < R2 > | .014442 | < 1/R > | 14.585308 | < 1/R**2 > | 429.140987 |
Total Energy= -327.49067282 a.u.
Kinetic Energy= 327.48588750 a.u.
Potential Energy= -654.97656031 a.u.
Virial Ratio = -2.00001461