(1s 2 2s 2 4p 1 ) 2 P F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 3p | 1.151041 | -3.94699460 |
| 2 | 4p | 1.254673 | 3.74342454 |
| 3 | 5p | 8.720643 | .00628396 |
| 4 | 2p | 2.659880 | .40137118 |
| 5 | 5p | 1.582931 | .63452842 |
| 6 | 4p | 20.129677 | -.00027628 |
| 7 | 2p | 5.971376 | .03878699 |
| ORB.ENERGY,a.u. | -.861410 | ||
| NORM | 1.000000 | < R > | 4.168978 | < R2 > | 19.692507 | < 1/R > | .344620 | < 1/R**2 > | .344935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.812433 | .33837882 |
| 2 | 2s | 3.304401 | -.76650410 |
| 3 | 3s | 4.588131 | -.29717469 |
| 4 | 4s | 12.413646 | .01014725 |
| 5 | 5s | 4.088325 | -.02806386 |
| 6 | 3s | 12.640659 | .00445689 |
| 7 | 4s | 2.966695 | .00514203 |
| 8 | 5s | 27.089890 | .00016776 |
| 9 | 3s | .857099 | .00018385 |
| ORB.ENERGY,a.u. | -5.333700 | ||
| NORM | 1.000000 | < R > | .810550 | < R2 > | .769181 | < 1/R > | 1.784844 | < 1/R**2 > | 12.844863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.053716 | .84885954 |
| 2 | 1s | 12.481235 | .14877365 |
| 3 | 2s | 10.662174 | .02095351 |
| 4 | 3s | 10.012272 | -.01552846 |
| 5 | 4s | 16.916380 | .00427684 |
| 6 | 5s | 9.993349 | -.00228182 |
| 7 | 3s | 38.618751 | -.00002847 |
| ORB.ENERGY,a.u. | -31.547000 |
| NORM | 1.000000 | < R > | .174348 | < R2 > | .040787 | < 1/R > | 8.672444 | < 1/R**2 > | 151.952921 |
Total Energy= -88.79531168 a.u.
Kinetic Energy= 88.79531229 a.u.
Potential Energy= -177.59062397 a.u.
Virial Ratio = -1.99999999