(1s 2 2s 2 2p 1 4p 1 ) 3 S Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 6.278517 | .29527130 |
| 2 | 3p | 2.501510 | -.71456413 |
| 3 | 5p | 2.611400 | 1.28671094 |
| 4 | 4p | 3.739632 | -.48077600 |
| 5 | 5p | 7.747234 | .03472859 |
| 6 | 4p | 18.756294 | -.00287939 |
| 7 | 5p | 2.301167 | .30254842 |
| 8 | 5p | 39.370389 | -.00035223 |
| 9 | 4p | 58.118823 | -.00008459 |
| ORB.ENERGY,a.u. | -2.754300 | ||
| NORM | .999999 | < R > | 2.350429 | < R2 > | 6.249070 | < 1/R > | .602490 | < 1/R**2 > | 1.010586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.662293 | 1.10571006 |
| 2 | 3p | 7.183369 | -.13598451 |
| 3 | 2p | 13.187542 | .01588055 |
| 4 | 5p | 12.107206 | .01323368 |
| 5 | 4p | 4.181665 | .00026669 |
| 6 | 5p | 18.379675 | .00464044 |
| 7 | 5p | 60.211009 | -.00001775 |
| 8 | 4p | 4.151799 | .00214809 |
| 9 | 4p | 3.304941 | -.00115900 |
| ORB.ENERGY,a.u. | -14.190000 | ||
| NORM | 1.000000 | < R > | .430654 | < R2 > | .224705 | < 1/R > | 2.938398 | < 1/R**2 > | 11.699954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.145100 | .36487889 |
| 2 | 2s | 5.198278 | -.80427697 |
| 3 | 3s | 7.615189 | -.28174497 |
| 4 | 4s | 26.027038 | .00155900 |
| 5 | 5s | 14.753623 | -.01094892 |
| 6 | 5s | 5.748599 | .01665490 |
| 7 | 4s | 2.479244 | .00028919 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494747 | < R2 > | .286549 | < 1/R > | 2.958784 | < 1/R**2 > | 35.430853 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161632 | .92575786 |
| 2 | 1s | 20.248369 | .07458785 |
| 3 | 2s | 11.813340 | .01893606 |
| 4 | 3s | 14.729653 | -.01684436 |
| 5 | 4s | 70.890878 | -.00006358 |
| 6 | 5s | 32.170426 | .00086497 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110565 | < R2 > | .016382 | < 1/R > | 13.647726 | < 1/R**2 > | 375.201045 |
Total Energy= -241.30810916 a.u.
Kinetic Energy= 241.31012428 a.u.
Potential Energy= -482.61823344 a.u.
Virial Ratio = -1.99999165