(1s 2 2s 2 2p 1 4p 1 ) 3 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 6.271603 | .29856901 |
| 2 | 3p | 2.523456 | -.71084211 |
| 3 | 5p | 2.629317 | 1.26132284 |
| 4 | 4p | 3.771605 | -.47799769 |
| 5 | 5p | 7.898132 | .03318264 |
| 6 | 4p | 19.023145 | -.00297814 |
| 7 | 5p | 2.316249 | .32107620 |
| 8 | 5p | 41.685234 | -.00032160 |
| 9 | 4p | 63.044373 | -.00006826 |
| ORB.ENERGY,a.u. | -2.772200 | ||
| NORM | 1.000000 | < R > | 2.337412 | < R2 > | 6.180307 | < 1/R > | .606282 | < 1/R**2 > | 1.023564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.660232 | 1.10597986 |
| 2 | 3p | 7.178622 | -.13519367 |
| 3 | 2p | 13.202728 | .01578558 |
| 4 | 5p | 11.752981 | .01234806 |
| 5 | 4p | 40.714090 | -.00005009 |
| 6 | 5p | 17.818029 | .00503903 |
| 7 | 5p | 4.496314 | .00226397 |
| 8 | 4p | 3.595596 | -.00132487 |
| ORB.ENERGY,a.u. | -14.208000 | ||
| NORM | 1.000000 | < R > | .430892 | < R2 > | .224951 | < 1/R > | 2.936765 | < 1/R**2 > | 11.687434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.154270 | .36446384 |
| 2 | 2s | 5.187472 | -.80488425 |
| 3 | 3s | 7.616648 | -.28133946 |
| 4 | 4s | 26.322358 | .00139816 |
| 5 | 5s | 14.799493 | -.01160311 |
| 6 | 5s | 5.805054 | .01824749 |
| 7 | 4s | 2.709509 | .00039228 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494750 | < R2 > | .286553 | < 1/R > | 2.958754 | < 1/R**2 > | 35.430109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.160995 | .92586994 |
| 2 | 1s | 20.256701 | .07451898 |
| 3 | 2s | 11.814989 | .01894959 |
| 4 | 3s | 14.724910 | -.01688915 |
| 5 | 4s | 69.889188 | -.00006548 |
| 6 | 5s | 32.264739 | .00083779 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110565 | < R2 > | .016382 | < 1/R > | 13.647733 | < 1/R**2 > | 375.201384 |
Total Energy= -241.30805714 a.u.
Kinetic Energy= 241.32798203 a.u.
Potential Energy= -482.63603916 a.u.
Virial Ratio = -1.99991744