(1s 2 2s 2 2p 4 5d 1 ) 4 F S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 2.242157 | 1.13175254 |
| 2 | 4d | 1.623724 | -5.01519766 |
| 3 | 5d | 1.623648 | 4.63853283 |
| 4 | 3d | 5.236783 | .06694554 |
| 5 | 5d | 7.848320 | -.01458956 |
| 6 | 4d | 16.827108 | .00040179 |
| 7 | 5d | 1.270937 | -.01500609 |
| 8 | 3d | 23.202116 | .00009167 |
| ORB.ENERGY,a.u. | -1.326600 | ||
| NORM | .999999 | < R > | 4.140736 | < R2 > | 19.492332 | < 1/R > | .340260 | < 1/R**2 > | .249321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.570085 | 1.14601232 |
| 2 | 3p | 6.335642 | -.22454620 |
| 3 | 2p | 12.185728 | .07348386 |
| 4 | 4p | 14.372702 | .01521399 |
| 5 | 5p | 17.348807 | -.00073419 |
| 6 | 5p | 5.152989 | -.00117042 |
| 7 | 4p | 64.396381 | .00002329 |
| ORB.ENERGY,a.u. | -13.514000 | ||
| NORM | 1.000000 | < R > | .404832 | < R2 > | .200712 | < 1/R > | 3.165450 | < 1/R**2 > | 13.771711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.802195 | .39469714 |
| 2 | 2s | 6.769393 | -.84992524 |
| 3 | 3s | 6.245532 | -.29849755 |
| 4 | 4s | 17.677398 | .00920514 |
| 5 | 3s | 21.567570 | .00661260 |
| 6 | 5s | 31.380117 | .00070581 |
| 7 | 5s | 6.044412 | -.00409768 |
| 8 | 2s | 56.607520 | .00005012 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452515 | < R2 > | .241052 | < 1/R > | 3.232948 | < 1/R**2 > | 42.711026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164776 | .91812319 |
| 2 | 1s | 22.011919 | .07851469 |
| 3 | 2s | 9.676268 | .01986883 |
| 4 | 3s | 11.855600 | -.01989848 |
| 5 | 4s | 14.424985 | .00893428 |
| 6 | 5s | 38.941644 | .00083084 |
| 7 | 4s | 94.621616 | -.00002732 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593590 | < 1/R**2 > | 490.124760 |
Total Energy= -366.58615045 a.u.
Kinetic Energy= 366.58850914 a.u.
Potential Energy= -733.17465959 a.u.
Virial Ratio = -1.99999357