(1s 2 2s 2 2p 1 5p 1 ) 3 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 4.576762 | .32588073 |
| 2 | 3p | 2.154989 | -2.98227888 |
| 3 | 4p | 1.878924 | 8.55527442 |
| 4 | 5p | 1.876537 | -6.42089752 |
| 5 | 2p | 9.897625 | .02061812 |
| 6 | 5p | 16.419840 | .00247318 |
| 7 | 5p | 3.700325 | -.13423007 |
| ORB.ENERGY,a.u. | -1.738700 | ||
| NORM | 1.000002 | < R > | 3.782368 | < R2 > | 16.086111 | < 1/R > | .381756 | < 1/R**2 > | .510074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.662904 | 1.10158404 |
| 2 | 3p | 7.181264 | -.12915856 |
| 3 | 2p | 13.249733 | .01592300 |
| 4 | 5p | 11.622892 | .01078281 |
| 5 | 4p | 39.022322 | -.00006166 |
| 6 | 5p | 17.585540 | .00503462 |
| 7 | 5p | 4.507579 | .00241469 |
| 8 | 4p | 3.734642 | -.00161966 |
| ORB.ENERGY,a.u. | -14.392000 | ||
| NORM | 1.000000 | < R > | .430961 | < R2 > | .224985 | < 1/R > | 2.935966 | < 1/R**2 > | 11.680508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.153410 | .36485692 |
| 2 | 2s | 5.186731 | -.80621397 |
| 3 | 3s | 7.627549 | -.28123380 |
| 4 | 4s | 26.239898 | .00144474 |
| 5 | 5s | 14.798832 | -.01143690 |
| 6 | 5s | 5.784986 | .01988069 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494285 | < R2 > | .285978 | < 1/R > | 2.961634 | < 1/R**2 > | 35.493724 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.163689 | .92606548 |
| 2 | 1s | 20.288602 | .07412356 |
| 3 | 2s | 12.007675 | .01888778 |
| 4 | 3s | 14.869923 | -.01668487 |
| 5 | 4s | 71.427904 | -.00005906 |
| 6 | 5s | 32.408295 | .00089948 |
| 7 | 5s | 7.937389 | .00005284 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110555 | < R2 > | .016379 | < 1/R > | 13.648569 | < 1/R**2 > | 375.237824 |
Total Energy= -240.28627609 a.u.
Kinetic Energy= 240.29536676 a.u.
Potential Energy= -480.58164285 a.u.
Virial Ratio = -1.99996217