(1s 2 2s 2 2p 1 4d 1 ) 3 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.656184 | 1.25658129 |
| 2 | 4d | 2.242091 | -1.77700812 |
| 3 | 3d | 5.651325 | .04002458 |
| 4 | 5d | 8.212450 | -.00601123 |
| 5 | 4d | 26.992113 | .00008429 |
| 6 | 5d | 2.004816 | .01687270 |
| 7 | 3d | 38.155069 | .00001020 |
| ORB.ENERGY,a.u. | -2.599400 | ||
| NORM | 1.000000 | < R > | 2.261005 | < R2 > | 5.856833 | < 1/R > | .586888 | < 1/R**2 > | .566036 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.639410 | 1.11046920 |
| 2 | 3p | 7.062885 | -.14093783 |
| 3 | 2p | 13.640083 | .01489125 |
| 4 | 5p | 11.082205 | .01260080 |
| 5 | 4p | 17.064846 | .00139842 |
| 6 | 5p | 17.057856 | .00538862 |
| 7 | 5p | 3.259609 | .00066781 |
| 8 | 4p | 3.576343 | .00071247 |
| ORB.ENERGY,a.u. | -14.156000 | ||
| NORM | 1.000000 | < R > | .431656 | < R2 > | .225795 | < 1/R > | 2.932103 | < 1/R**2 > | 11.652982 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.159250 | .36431149 |
| 2 | 2s | 5.180799 | -.80553346 |
| 3 | 3s | 7.631411 | -.28092475 |
| 4 | 4s | 26.290551 | .00136774 |
| 5 | 5s | 14.898516 | -.01167590 |
| 6 | 5s | 5.762409 | .01915000 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494665 | < R2 > | .286467 | < 1/R > | 2.959354 | < 1/R**2 > | 35.442185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165124 | .92614243 |
| 2 | 1s | 20.279918 | .07408328 |
| 3 | 2s | 11.987186 | .01878262 |
| 4 | 3s | 14.844016 | -.01665043 |
| 5 | 4s | 71.687134 | -.00005803 |
| 6 | 5s | 32.447497 | .00090730 |
| 7 | 5s | 8.213215 | .00007325 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649391 | < 1/R**2 > | 375.274255 |
Total Energy= -241.16252737 a.u.
Kinetic Energy= 241.15664408 a.u.
Potential Energy= -482.31917145 a.u.
Virial Ratio = -2.00002440