(1s 2 2s 2 2p 1 3d 1 ) 1 F F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 1.336850 | .98102099 |
| 2 | 3d | 4.374605 | .01232420 |
| 3 | 4d | 1.343616 | .01530667 |
| 4 | 5d | 3.411603 | .00098647 |
| 5 | 4d | 9.024227 | -.00040742 |
| ORB.ENERGY,a.u. | -.886940 | ||
| NORM | 1.000000 | < R > | 2.616780 | < R2 > | 7.843466 | < 1/R > | .447959 | < 1/R**2 > | .243205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.112144 | .87301873 |
| 2 | 2p | 5.033643 | .13296830 |
| 3 | 2p | 10.415435 | .00802375 |
| 4 | 3p | 1.618716 | -.00618815 |
| 5 | 4p | 3.138744 | .01265587 |
| 6 | 4p | 15.778024 | -.00068177 |
| ORB.ENERGY,a.u. | -3.641800 | ||
| NORM | 1.000000 | < R > | .759536 | < R2 > | .701978 | < 1/R > | 1.677720 | < 1/R**2 > | 3.854684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.083275 | .30720244 |
| 2 | 2s | 2.893998 | -.78521799 |
| 3 | 3s | 4.677168 | -.26982682 |
| 4 | 4s | 16.522501 | .00237020 |
| 5 | 5s | 9.197894 | -.01731629 |
| 6 | 5s | 3.307303 | .02864281 |
| 7 | 4s | 35.692514 | .00003743 |
| 8 | 4s | 2.694000 | -.00828330 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .845954 | < R2 > | .842123 | < 1/R > | 1.706939 | < 1/R**2 > | 11.811394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.357957 | .00127003 |
| 2 | 1s | 8.053171 | .85108296 |
| 3 | 1s | 12.613163 | .14431362 |
| 4 | 2s | 11.023007 | .02092588 |
| 5 | 3s | 9.812275 | -.01581689 |
| 6 | 4s | 15.748098 | .00479490 |
| 7 | 5s | 28.745610 | .00028194 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174832 | < R2 > | .041066 | < 1/R > | 8.657440 | < 1/R**2 > | 151.549870 |
Total Energy= -93.04907894 a.u.
Kinetic Energy= 93.01372286 a.u.
Potential Energy= -186.06280180 a.u.
Virial Ratio = -2.00038012