(1s 2 2s 2 2p 5 5d 1 ) 3 F P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 5d- electron | |
| 1 | 3d | 1.659517 | 1.14566664 |
| 2 | 4d | 1.288509 | -4.01905341 |
| 3 | 5d | 1.212654 | 3.59916887 |
| 4 | 3d | 3.553564 | .08502332 |
| 5 | 5d | 5.235194 | -.01968203 |
| 6 | 4d | 9.792304 | .00542000 |
| 7 | 5d | 1.065733 | -.05847196 |
| 8 | 3d | 13.172186 | .00105269 |
| ORB.ENERGY,a.u. | -.748700 | ||
| NORM | 1.000003 | < R > | 5.495481 | < R2 > | 34.368115 | < 1/R > | .258195 | < 1/R**2 > | .146556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.859901 | 1.22635092 |
| 2 | 3p | 5.741055 | -.30485441 |
| 3 | 2p | 11.238471 | .07678251 |
| 4 | 5p | 34.796387 | -.00013252 |
| 5 | 4p | 13.444414 | .01274823 |
| 6 | 5p | 3.461978 | .00024165 |
| ORB.ENERGY,a.u. | -9.354700 | ||
| NORM | 1.000000 | < R > | .459263 | < R2 > | .260524 | < 1/R > | 2.817794 | < 1/R**2 > | 11.031577 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.140383 | .37226318 |
| 2 | 2s | 6.145966 | -.83408659 |
| 3 | 3s | 5.433715 | -.30261633 |
| 4 | 4s | 18.507174 | .00418161 |
| 5 | 3s | 17.380066 | .00672925 |
| 6 | 5s | 36.549382 | .00042001 |
| 7 | 5s | 5.145637 | -.00280903 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501314 | < R2 > | .297080 | < 1/R > | 2.911770 | < 1/R**2 > | 34.800872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92329986 |
| 2 | 1s | 20.989262 | .07299210 |
| 3 | 2s | 8.544650 | .02100837 |
| 4 | 3s | 10.657390 | -.02130368 |
| 5 | 4s | 13.404792 | .01067542 |
| 6 | 5s | 35.696029 | .00079955 |
| 7 | 4s | 81.429781 | -.00004037 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103671 | < R2 > | .014442 | < 1/R > | 14.585260 | < 1/R**2 > | 429.138711 |
Total Energy= -327.06290344 a.u.
Kinetic Energy= 327.06496363 a.u.
Potential Energy= -654.12786708 a.u.
Virial Ratio = -1.99999370