(1s 2 2s 2 2p 2 4s 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 11.275614 | .11001998 |
| 2 | 2s | 2.975337 | -1.29347574 |
| 3 | 3s | 2.670544 | 3.17537956 |
| 4 | 4s | 2.218222 | -2.32010527 |
| 5 | 5s | 3.789628 | -.23831814 |
| 6 | 4s | 11.137337 | -.01837846 |
| 7 | 5s | 29.589841 | .00020712 |
| 8 | 5s | 1.865382 | -.01253937 |
| ORB.ENERGY,a.u. | -2.407300 | ||
| NORM | 1.000000 | < R > | 2.508425 | < R2 > | 7.067398 | < 1/R > | .573487 | < 1/R**2 > | 2.653940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.323871 | 1.18122667 |
| 2 | 3p | 6.339759 | -.20115741 |
| 3 | 2p | 13.922474 | .01750283 |
| 4 | 4p | 16.291803 | .00398395 |
| 5 | 5p | 26.821881 | -.00066186 |
| 6 | 5p | 2.426345 | -.00020963 |
| 7 | 4p | 81.193689 | .00000862 |
| ORB.ENERGY,a.u. | -12.404000 | ||
| NORM | 1.000000 | < R > | .446758 | < R2 > | .242758 | < 1/R > | 2.845629 | < 1/R**2 > | 11.033483 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.917351 | .41703485 |
| 2 | 2s | 6.067356 | -.88565308 |
| 3 | 3s | 5.629104 | -.29472831 |
| 4 | 4s | 23.927572 | .00227713 |
| 5 | 3s | 12.335610 | .02814620 |
| 6 | 5s | 3.599178 | -.01053853 |
| 7 | 4s | 2.656974 | .00784360 |
| 8 | 3s | 1.772347 | .00461208 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507169 | < R2 > | .301872 | < 1/R > | 2.882155 | < 1/R**2 > | 33.756052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.158307 | .92526715 |
| 2 | 1s | 20.239958 | .07444105 |
| 3 | 2s | 11.392663 | .01962736 |
| 4 | 3s | 14.919504 | -.01603673 |
| 5 | 5s | 32.332879 | .00086065 |
| 6 | 4s | 71.152362 | -.00006024 |
| 7 | 5s | 5.449315 | .00032453 |
| 8 | 3s | 1.419165 | -.00031990 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110787 | < R2 > | .016463 | < 1/R > | 13.630298 | < 1/R**2 > | 374.457154 |
Total Energy= -253.85667912 a.u.
Kinetic Energy= 253.86604894 a.u.
Potential Energy= -507.72272806 a.u.
Virial Ratio = -1.99996309