(1s 2 2s 2 2p 4 4d 1 ) 2 F P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 2.056071 | 1.24647052 |
| 2 | 4d | 1.770670 | -1.78263227 |
| 3 | 3d | 6.566849 | .03333885 |
| 4 | 4d | 4.638874 | .03940739 |
| 5 | 5d | 22.222159 | -.00007946 |
| ORB.ENERGY,a.u. | -1.587900 | ||
| NORM | 1.000001 | < R > | 2.862818 | < R2 > | 9.417019 | < 1/R > | .469621 | < 1/R**2 > | .373899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.134732 | 1.18000119 |
| 2 | 3p | 5.969610 | -.24970886 |
| 3 | 2p | 11.593451 | .06605027 |
| 4 | 4p | 13.622805 | .01256510 |
| 5 | 5p | 33.658938 | -.00012935 |
| 6 | 5p | 2.079919 | -.00018641 |
| ORB.ENERGY,a.u. | -10.794000 | ||
| NORM | 1.000000 | < R > | .441243 | < R2 > | .238979 | < 1/R > | 2.911815 | < 1/R**2 > | 11.687844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.020990 | .38704137 |
| 2 | 2s | 6.264562 | -.84708073 |
| 3 | 3s | 5.683751 | -.29884386 |
| 4 | 4s | 16.581988 | .00782702 |
| 5 | 3s | 18.921227 | .00640378 |
| 6 | 5s | 30.491225 | .00078077 |
| 7 | 5s | 4.930668 | -.00392871 |
| 8 | 4s | 3.697682 | .00150065 |
| 9 | 3s | 48.830827 | -.00006724 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489775 | < R2 > | .282731 | < 1/R > | 2.982563 | < 1/R**2 > | 36.387641 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211053 | .92279106 |
| 2 | 1s | 20.927508 | .07367688 |
| 3 | 2s | 8.784153 | .02035531 |
| 4 | 3s | 10.789884 | -.02029619 |
| 5 | 4s | 13.365308 | .00939210 |
| 6 | 5s | 35.964051 | .00086027 |
| 7 | 4s | 85.261693 | -.00003495 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597202 | < 1/R**2 > | 429.679069 |
Total Energy= -318.28466694 a.u.
Kinetic Energy= 318.27577417 a.u.
Potential Energy= -636.56044110 a.u.
Virial Ratio = -2.00002794