(1s 2 2s 2 2p 5 5s 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 12.830141 | .05178802 |
| 2 | 2s | 4.112270 | -.26481993 |
| 3 | 3s | 2.133713 | 1.33667028 |
| 4 | 4s | 1.560233 | -3.33403559 |
| 5 | 5s | 1.372969 | 2.84545495 |
| 6 | 5s | 12.468534 | -.01444100 |
| 7 | 4s | 16.153525 | -.00939779 |
| 8 | 5s | 41.796707 | -.00031293 |
| 9 | 4s | 62.072925 | -.00007565 |
| ORB.ENERGY,a.u. | -.919880 | ||
| NORM | .999999 | < R > | 4.913187 | < R2 > | 27.017639 | < 1/R > | .289450 | < 1/R**2 > | .836026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.861212 | 1.22613602 |
| 2 | 3p | 5.742443 | -.30442421 |
| 3 | 2p | 11.242885 | .07659412 |
| 4 | 5p | 35.052247 | -.00013114 |
| 5 | 4p | 13.437581 | .01270194 |
| 6 | 5p | 3.312129 | .00023036 |
| ORB.ENERGY,a.u. | -9.361400 | ||
| NORM | 1.000000 | < R > | .459240 | < R2 > | .260481 | < 1/R > | 2.817760 | < 1/R**2 > | 11.030746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.342050 | .32315271 |
| 2 | 2s | 5.079055 | -.77988701 |
| 3 | 3s | 8.535557 | -.22867706 |
| 4 | 4s | 6.622583 | -.05805193 |
| 5 | 5s | 17.918893 | -.00823133 |
| 6 | 5s | 2.203109 | .00409152 |
| 7 | 4s | 2.606478 | -.00239327 |
| 8 | 4s | 63.626393 | -.00003246 |
| 9 | 3s | 1.029421 | -.00276905 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501275 | < R2 > | .297045 | < 1/R > | 2.912034 | < 1/R**2 > | 34.807356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204573 | .92326250 |
| 2 | 1s | 20.979499 | .07306906 |
| 3 | 2s | 8.443016 | .02113605 |
| 4 | 3s | 10.544320 | -.02158482 |
| 5 | 4s | 13.340088 | .01076751 |
| 6 | 5s | 35.732620 | .00081167 |
| 7 | 4s | 81.934258 | -.00003874 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103672 | < R2 > | .014442 | < 1/R > | 14.585166 | < 1/R**2 > | 429.133730 |
Total Energy= -327.23337324 a.u.
Kinetic Energy= 327.23490204 a.u.
Potential Energy= -654.46827529 a.u.
Virial Ratio = -1.99999533