(1s 2 2s 2 2p 5 3d 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 2.019022 | 1.01978767 |
| 2 | 3d | 7.246208 | .01054574 |
| 3 | 4d | 2.523034 | -.02271184 |
| 4 | 5d | 16.633696 | -.00016580 |
| ORB.ENERGY,a.u. | -2.018400 | ||
| NORM | 1.000000 | < R > | 1.726740 | < R2 > | 3.416192 | < 1/R > | .679071 | < 1/R**2 > | .559296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.877946 | 1.22082512 |
| 2 | 3p | 5.776932 | -.29811683 |
| 3 | 2p | 11.246987 | .07607448 |
| 4 | 4p | 13.392053 | .01267897 |
| 5 | 5p | 2.679181 | -.00044158 |
| 6 | 5p | 35.760819 | -.00012886 |
| ORB.ENERGY,a.u. | -8.727000 | ||
| NORM | 1.000000 | < R > | .458795 | < R2 > | .259867 | < 1/R > | 2.819664 | < 1/R**2 > | 11.043379 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.138664 | .37201214 |
| 2 | 2s | 6.146625 | -.83368960 |
| 3 | 3s | 5.427548 | -.30269133 |
| 4 | 4s | 18.317793 | .00437250 |
| 5 | 3s | 17.480738 | .00666583 |
| 6 | 5s | 36.264023 | .00043842 |
| 7 | 5s | 4.860262 | -.00413298 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501892 | < R2 > | .297900 | < 1/R > | 2.908992 | < 1/R**2 > | 34.742921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204573 | .92330458 |
| 2 | 1s | 20.990543 | .07298891 |
| 3 | 2s | 8.543800 | .02101042 |
| 4 | 3s | 10.657251 | -.02130386 |
| 5 | 4s | 13.403923 | .01067736 |
| 6 | 5s | 35.690673 | .00079827 |
| 7 | 4s | 81.397775 | -.00003994 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103672 | < R2 > | .014442 | < 1/R > | 14.585160 | < 1/R**2 > | 429.134227 |
Total Energy= -328.40055791 a.u.
Kinetic Energy= 328.33463821 a.u.
Potential Energy= -656.73519612 a.u.
Virial Ratio = -2.00020077