(1s 2 2s 2 2p 1 4d 1 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 2.708940 | 1.18307615 |
| 2 | 4d | 2.260276 | -1.71553344 |
| 3 | 3d | 5.441616 | .05752041 |
| 4 | 5d | 7.863894 | -.00789103 |
| 5 | 4d | 29.707023 | .00006548 |
| 6 | 5d | 1.944501 | .00982160 |
| 7 | 3d | 46.711854 | .00000490 |
| ORB.ENERGY,a.u. | -2.628300 | ||
| NORM | .999999 | < R > | 2.235121 | < R2 > | 5.721029 | < 1/R > | .593967 | < 1/R**2 > | .582899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.655333 | 1.09471307 |
| 2 | 3p | 6.987532 | -.11374586 |
| 3 | 2p | 13.987468 | .01455081 |
| 4 | 5p | 17.807932 | .00220004 |
| 5 | 4p | 26.021608 | -.00022309 |
| 6 | 5p | 56.272122 | -.00000645 |
| 7 | 5p | 3.139248 | -.00078093 |
| 8 | 4p | 11.018450 | .00260747 |
| 9 | 4p | 5.130934 | .00507731 |
| ORB.ENERGY,a.u. | -14.185000 | ||
| NORM | 1.000000 | < R > | .432165 | < R2 > | .226286 | < 1/R > | 2.928740 | < 1/R**2 > | 11.628225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.151962 | .36462738 |
| 2 | 2s | 5.189778 | -.80498576 |
| 3 | 3s | 7.627897 | -.28115586 |
| 4 | 4s | 26.170797 | .00146590 |
| 5 | 5s | 14.857251 | -.01126402 |
| 6 | 5s | 5.723826 | .01776959 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494674 | < R2 > | .286476 | < 1/R > | 2.959280 | < 1/R**2 > | 35.440206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162657 | .92549040 |
| 2 | 1s | 20.203505 | .07498660 |
| 3 | 2s | 11.638739 | .01894512 |
| 4 | 3s | 14.515492 | -.01694862 |
| 5 | 4s | 67.542006 | -.00007312 |
| 6 | 5s | 32.595114 | .00074428 |
| 7 | 4s | 4.976391 | .00002838 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649444 | < 1/R**2 > | 375.276637 |
Total Energy= -241.16241561 a.u.
Kinetic Energy= 241.18557557 a.u.
Potential Energy= -482.34799117 a.u.
Virial Ratio = -1.99990397