(1s 2 2s 2 2p 1 3d 1 ) 3 F F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 1.435769 | .88324046 |
| 2 | 4d | 8.473070 | -.00085166 |
| 3 | 3d | 3.340709 | .07893065 |
| 4 | 4d | 1.328172 | .04646518 |
| 5 | 5d | 3.055860 | .03381168 |
| ORB.ENERGY,a.u. | -.945980 | ||
| NORM | 1.000000 | < R > | 2.361623 | < R2 > | 6.480388 | < 1/R > | .506108 | < 1/R**2 > | .318416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.033288 | .84927424 |
| 2 | 2p | 4.848848 | .16083772 |
| 3 | 2p | 10.439881 | .00807581 |
| 4 | 3p | 3.889775 | -.00868380 |
| 5 | 4p | 2.448471 | .02297007 |
| 6 | 4p | 15.587293 | -.00058986 |
| 7 | 5p | 1.369100 | .00041395 |
| ORB.ENERGY,a.u. | -3.700900 | ||
| NORM | 1.000000 | < R > | .778243 | < R2 > | .743509 | < 1/R > | 1.649124 | < 1/R**2 > | 3.745709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.000450 | .31169009 |
| 2 | 2s | 2.982839 | -.79061494 |
| 3 | 3s | 4.525401 | -.27720255 |
| 4 | 4s | 15.273951 | .00428270 |
| 5 | 5s | 8.551421 | -.01427417 |
| 6 | 5s | 6.236408 | .01722179 |
| 7 | 4s | 30.149205 | .00014751 |
| 8 | 4s | 3.451400 | .00488888 |
| 9 | 3s | 1.036756 | -.00013175 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .846924 | < R2 > | .844422 | < 1/R > | 1.705302 | < 1/R**2 > | 11.790723 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.275221 | .00121407 |
| 2 | 1s | 8.053802 | .85115328 |
| 3 | 1s | 12.610440 | .14432476 |
| 4 | 2s | 11.015396 | .02090459 |
| 5 | 3s | 9.791152 | -.01582253 |
| 6 | 4s | 15.738975 | .00475301 |
| 7 | 5s | 28.560743 | .00028835 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174813 | < R2 > | .041055 | < 1/R > | 8.658059 | < 1/R**2 > | 151.566884 |
Total Energy= -93.05293192 a.u.
Kinetic Energy= 93.07282074 a.u.
Potential Energy= -186.12575266 a.u.
Virial Ratio = -1.99978631