(1s 2 2s 2 2p 4 3d 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 2.071660 | 1.07972192 |
| 2 | 3d | 6.105612 | .02373946 |
| 3 | 4d | 2.737685 | -.09525770 |
| 4 | 5d | 19.240421 | .00004425 |
| 5 | 5d | 1.893427 | .00803507 |
| 6 | 4d | 35.951425 | .00001888 |
| ORB.ENERGY,a.u. | -2.034200 | ||
| NORM | 1.000000 | < R > | 1.685612 | < R2 > | 3.274257 | < 1/R > | .701860 | < 1/R**2 > | .605563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.630553 | 1.21918662 |
| 2 | 3p | 5.407134 | -.29080086 |
| 3 | 2p | 10.785286 | .06702334 |
| 4 | 4p | 12.602210 | .01298842 |
| 5 | 5p | 32.501121 | -.00016618 |
| 6 | 5p | 3.198981 | .00027539 |
| ORB.ENERGY,a.u. | -8.130200 | ||
| NORM | 1.000000 | < R > | .484640 | < R2 > | .289093 | < 1/R > | 2.659228 | < 1/R**2 > | 9.781723 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.296173 | .37541919 |
| 2 | 2s | 5.751637 | -.84113705 |
| 3 | 3s | 5.164495 | -.29647321 |
| 4 | 4s | 16.157001 | .00833324 |
| 5 | 3s | 18.173561 | .00587426 |
| 6 | 5s | 29.553109 | .00064371 |
| 7 | 5s | 4.722731 | -.00545296 |
| 8 | 3s | 45.531932 | -.00006146 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534019 | < R2 > | .336735 | < 1/R > | 2.731444 | < 1/R**2 > | 30.554579 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204993 | .91771688 |
| 2 | 1s | 19.461360 | .07932339 |
| 3 | 2s | 8.039051 | .01968531 |
| 4 | 3s | 9.927840 | -.01992861 |
| 5 | 4s | 12.308823 | .00936834 |
| 6 | 5s | 33.657487 | .00093753 |
| 7 | 4s | 80.920270 | -.00003493 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111164 | < R2 > | .016601 | < 1/R > | 13.601207 | < 1/R**2 > | 373.227207 |
Total Energy= -273.71187867 a.u.
Kinetic Energy= 273.65043121 a.u.
Potential Energy= -547.36230988 a.u.
Virial Ratio = -2.00022455