(1s 2 2s 2 2p 1 5d 1 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.412233 | 1.30740038 |
| 2 | 4d | 1.949214 | -4.03110640 |
| 3 | 5d | 1.802605 | 3.40712007 |
| 4 | 3d | 5.311821 | .04870891 |
| 5 | 5d | 1.227212 | -.01654623 |
| 6 | 5d | 7.959152 | -.00661891 |
| 7 | 4d | 30.876127 | .00004799 |
| 8 | 4d | .908542 | .00529949 |
| 9 | 3d | 53.415022 | .00000251 |
| ORB.ENERGY,a.u. | -1.668900 | ||
| NORM | .999999 | < R > | 3.712667 | < R2 > | 15.645280 | < 1/R > | .375184 | < 1/R**2 > | .292956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.660857 | 1.09617248 |
| 2 | 3p | 7.026192 | -.11916680 |
| 3 | 2p | 13.914827 | .01451269 |
| 4 | 5p | 11.718342 | .00555885 |
| 5 | 4p | 5.895206 | .00295134 |
| 6 | 5p | 18.114182 | .00363841 |
| 7 | 5p | 6.227960 | .00123993 |
| 8 | 3p | 71.041603 | .00000287 |
| ORB.ENERGY,a.u. | -14.382000 | ||
| NORM | 1.000000 | < R > | .431494 | < R2 > | .225531 | < 1/R > | 2.932474 | < 1/R**2 > | 11.654364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.142851 | .36536296 |
| 2 | 2s | 5.199930 | -.80559524 |
| 3 | 3s | 7.610745 | -.28167752 |
| 4 | 4s | 26.012567 | .00150353 |
| 5 | 5s | 14.896448 | -.01112158 |
| 6 | 5s | 5.788989 | .01847680 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494245 | < R2 > | .285937 | < 1/R > | 2.961905 | < 1/R**2 > | 35.498954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162490 | .92550543 |
| 2 | 1s | 20.206279 | .07497043 |
| 3 | 2s | 11.652107 | .01893829 |
| 4 | 3s | 14.527400 | -.01694649 |
| 5 | 4s | 67.738466 | -.00007270 |
| 6 | 5s | 32.557557 | .00075030 |
| 7 | 4s | 4.825626 | .00002638 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649401 | < 1/R**2 > | 375.274466 |
Total Energy= -240.21605184 a.u.
Kinetic Energy= 240.22631445 a.u.
Potential Energy= -480.44236629 a.u.
Virial Ratio = -1.99995728