(1s 2 2s 2 2p 1 5d 1 ) 3 F S 10+
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 | 2.893231 | 1.37662672 |
| 2 | 4d | 2.363562 | -4.23354949 |
| 3 | 5d | 2.200680 | 3.55441069 |
| 4 | 3d | 6.494985 | .04626508 |
| 5 | 5d | 1.757637 | -.02090417 |
| 6 | 5d | 23.000013 | -.00029657 |
| 7 | 4d | 8.628580 | -.00928839 |
| 8 | 4d | 11.242002 | .00268727 |
| ORB.ENERGY,a.u. | -2.483000 | ||
| NORM | 1.000000 | < R > | 3.051059 | < R2 > | 10.563192 | < 1/R > | .455789 | < 1/R**2 > | .430473 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.688446 | 1.06907859 |
| 2 | 3p | 8.160101 | -.08764685 |
| 3 | 2p | 16.508412 | .01235509 |
| 4 | 5p | 20.494679 | .00255225 |
| 5 | 5p | 3.691839 | -.00149267 |
| 6 | 4p | 6.936893 | .00867946 |
| 7 | 3p | 2.206322 | .00133126 |
| ORB.ENERGY,a.u. | -20.289000 | ||
| NORM | 1.000000 | < R > | .367593 | < R2 > | .163430 | < 1/R > | 3.435796 | < 1/R**2 > | 15.959572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.758835 | .37936516 |
| 2 | 2s | 6.116195 | -.81216490 |
| 3 | 3s | 8.802418 | -.28431426 |
| 4 | 4s | 29.976769 | .00119132 |
| 5 | 5s | 17.248680 | -.01009226 |
| 6 | 5s | 6.830724 | .01840308 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424167 | < R2 > | .210458 | < 1/R > | 3.462186 | < 1/R**2 > | 48.460559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173004 | .93475962 |
| 2 | 1s | 23.817255 | .06256058 |
| 3 | 2s | 14.424447 | .02453973 |
| 4 | 3s | 23.225341 | -.00858321 |
| 5 | 4s | 19.226500 | -.01188823 |
| 6 | 5s | 41.267668 | .00070857 |
| 7 | 5s | 8.264607 | .00004060 |
| 8 | 3s | 71.058331 | -.00003603 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647509 | < 1/R**2 > | 492.758221 |
Total Energy= -318.85493237 a.u.
Kinetic Energy= 318.86662669 a.u.
Potential Energy= -637.72155906 a.u.
Virial Ratio = -1.99996333