(1s 2 2s 1 3p 1 ) 1 P F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | 2.058677 | -1.58975299 |
| 2 | 2p | 2.444541 | .98065202 |
| 3 | 2p | 6.776090 | .04752357 |
| 4 | 4p | 8.337759 | .01506822 |
| 5 | 5p | 3.953441 | -.01963746 |
| 6 | 5p | 2.500450 | -.00458718 |
| 7 | 2p | 45.826521 | -.00000353 |
| ORB.ENERGY,a.u. | -2.125800 | ||
| NORM | 1.000001 | < R > | 1.952964 | < R2 > | 4.399295 | < 1/R > | .719460 | < 1/R**2 > | 1.094688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.314226 | .39105748 |
| 2 | 2s | 3.674226 | -.87364177 |
| 3 | 3s | 4.120136 | -.25127722 |
| 4 | 4s | 10.238443 | .03246549 |
| 5 | 3s | 11.070724 | .01225682 |
| 6 | 5s | 6.590680 | -.01510739 |
| 7 | 5s | 12.651919 | -.00891519 |
| 8 | 4s | 1.979631 | .00074758 |
| ORB.ENERGY,a.u. | -6.157000 | ||
| NORM | 1.000000 | < R > | .782540 | < R2 > | .713817 | < 1/R > | 1.858467 | < 1/R**2 > | 13.958835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.170306 | .86119702 |
| 2 | 1s | 12.090634 | .13912694 |
| 3 | 2s | 5.813592 | .02860651 |
| 4 | 3s | 7.444823 | -.03140484 |
| 5 | 4s | 16.518313 | .00390391 |
| 6 | 5s | 10.067138 | .00360374 |
| 7 | 5s | 58.694337 | -.00002382 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174448 | < R2 > | .040859 | < 1/R > | 8.670913 | < 1/R**2 > | 151.933049 |
Total Energy= -84.42954302 a.u.
Kinetic Energy= 84.40474735 a.u.
Potential Energy= -168.83429037 a.u.
Virial Ratio = -2.00029377