(1s 2 2s 2 2p 1 3p 1 ) 1 S Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 2.912780 | .86590921 |
| 2 | 3p | 3.217064 | -1.80533596 |
| 3 | 2p | 9.888606 | .01659084 |
| 4 | 4p | 6.802732 | .04821285 |
| 5 | 5p | 20.480831 | .00153220 |
| 6 | 5p | 3.249745 | -.01416827 |
| 7 | 4p | 32.724762 | .00014593 |
| ORB.ENERGY,a.u. | -5.032200 | ||
| NORM | 1.000000 | < R > | 1.258977 | < R2 > | 1.750397 | < 1/R > | .898502 | < 1/R**2 > | 1.039676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.666285 | 1.04424266 |
| 2 | 3p | 2.952066 | -.30108547 |
| 3 | 2p | 10.363552 | .06811655 |
| 4 | 5p | 11.300409 | .00969699 |
| 5 | 4p | 23.358718 | -.00270543 |
| 6 | 5p | 2.746111 | .03095630 |
| 7 | 3p | 30.028457 | -.00044304 |
| 8 | 4p | 2.039685 | -.01781535 |
| 9 | 3p | 1.450721 | .00472411 |
| ORB.ENERGY,a.u. | -13.755000 | ||
| NORM | 1.000000 | < R > | .410169 | < R2 > | .228369 | < 1/R > | 3.142561 | < 1/R**2 > | 13.199587 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.164158 | .36292436 |
| 2 | 2s | 5.170613 | -.80496307 |
| 3 | 3s | 7.600690 | -.28054211 |
| 4 | 4s | 26.395658 | .00130000 |
| 5 | 5s | 14.878173 | -.01156579 |
| 6 | 5s | 6.066100 | .01745297 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496335 | < R2 > | .288603 | < 1/R > | 2.949624 | < 1/R**2 > | 35.233009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.160956 | .92623299 |
| 2 | 1s | 20.322737 | .07387390 |
| 3 | 2s | 12.040588 | .01905415 |
| 4 | 3s | 15.006915 | -.01667356 |
| 5 | 4s | 72.685018 | -.00005634 |
| 6 | 5s | 32.253771 | .00094164 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110596 | < R2 > | .016393 | < 1/R > | 13.645174 | < 1/R**2 > | 375.090508 |
Total Energy= -243.67452344 a.u.
Kinetic Energy= 243.58596045 a.u.
Potential Energy= -487.26048389 a.u.
Virial Ratio = -2.00036358