(1s 2 2s 2 2p 3 5d 1 ) 5 D P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | 2.267173 | 1.09821578 |
| 2 | 4d | 1.662818 | -4.46263381 |
| 3 | 5d | 1.622892 | 4.09909373 |
| 4 | 3d | 5.217170 | .06358492 |
| 5 | 5d | 7.831037 | -.01146241 |
| 6 | 4d | 25.455091 | .00009626 |
| 7 | 5d | 1.303748 | -.02122105 |
| 8 | 4d | 61.230164 | .00000689 |
| ORB.ENERGY,a.u. | -1.329600 | ||
| NORM | .999999 | < R > | 4.133728 | < R2 > | 19.416677 | < 1/R > | .339891 | < 1/R**2 > | .247284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.745847 | 1.33206853 |
| 2 | 3p | 7.303769 | -.41586222 |
| 3 | 4p | 8.880540 | .08006233 |
| 4 | 5p | 25.204060 | -.00243017 |
| 5 | 4p | 3.719365 | .00885423 |
| 6 | 4p | 32.824274 | -.00128484 |
| 7 | 5p | 3.846498 | -.00525711 |
| 8 | 3p | 1.319292 | .00014973 |
| 9 | 3p | 46.732052 | -.00010535 |
| ORB.ENERGY,a.u. | -13.357000 | ||
| NORM | 1.000000 | < R > | .423220 | < R2 > | .218427 | < 1/R > | 3.013225 | < 1/R**2 > | 12.414294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.939572 | .40088783 |
| 2 | 2s | 6.369379 | -.85645308 |
| 3 | 3s | 6.104707 | -.28726417 |
| 4 | 4s | 25.258888 | .00208538 |
| 5 | 3s | 14.047040 | .01619798 |
| 6 | 5s | 6.232730 | -.01398203 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478196 | < R2 > | .268755 | < 1/R > | 3.057731 | < 1/R**2 > | 38.104111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.175131 | .93173960 |
| 2 | 1s | 21.909006 | .06641581 |
| 3 | 2s | 12.648685 | .01835292 |
| 4 | 3s | 17.871839 | -.01483578 |
| 5 | 4s | 27.570875 | .00302283 |
| 6 | 5s | 53.630660 | .00008826 |
| 7 | 5s | 10.514603 | .00057123 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103376 | < R2 > | .014341 | < 1/R > | 14.611283 | < 1/R**2 > | 430.318741 |
Total Energy= -306.71184832 a.u.
Kinetic Energy= 306.72039079 a.u.
Potential Energy= -613.43223910 a.u.
Virial Ratio = -1.99997215