(1s 2 2s 1 5s 1 ) 3 S Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 8.036566 | .14170886 |
| 2 | 2s | 1.975706 | -5.48276893 |
| 3 | 3s | 2.746559 | 8.31766341 |
| 4 | 4s | 2.313581 | -8.32945964 |
| 5 | 5s | 2.251727 | 6.50178479 |
| 6 | 5s | 14.477081 | -.00079131 |
| 7 | 1s | 18.091375 | .00612176 |
| 8 | 4s | 47.044231 | -.00005052 |
| ORB.ENERGY,a.u. | -2.554600 | ||
| NORM | 1.000001 | < R > | 3.238067 | < R2 > | 11.734916 | < 1/R > | .453842 | < 1/R**2 > | 2.038478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.490365 | .42036405 |
| 2 | 2s | 6.012289 | -.80135836 |
| 3 | 3s | 7.139582 | -.30432022 |
| 4 | 5s | 12.286311 | -.02505047 |
| 5 | 4s | 24.553741 | .00678953 |
| 6 | 5s | 32.491181 | -.00174299 |
| 7 | 4s | 84.977605 | .00002274 |
| ORB.ENERGY,a.u. | -18.833000 | ||
| NORM | 1.000000 | < R > | .471217 | < R2 > | .258963 | < 1/R > | 3.126893 | < 1/R**2 > | 39.421570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.408656 | .93603876 |
| 2 | 1s | 21.379695 | .05194677 |
| 3 | 2s | 16.491091 | .01652766 |
| 4 | 3s | 9.615752 | .00165582 |
| 5 | 4s | 56.237007 | -.00048699 |
| 6 | 5s | 75.062031 | .00017716 |
| 7 | 5s | 2.967080 | .00019001 |
| 8 | 4s | 1.536243 | -.00020320 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110254 | < R2 > | .016275 | < 1/R > | 13.674499 | < 1/R**2 > | 376.386877 |
Total Energy= -209.08341636 a.u.
Kinetic Energy= 209.08946588 a.u.
Potential Energy= -418.17288224 a.u.
Virial Ratio = -1.99997107