(1s 2 2s 2 2p 6 3s 2 5p 1 ) 2 P Si +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 3p | .412028 | -5.88465691 |
| 2 | 4p | .416207 | 1.22579812 |
| 3 | 4p | .637617 | 6.25760256 |
| 4 | 5p | .730303 | -1.71100319 |
| 5 | 3p | 1.718123 | -.18017194 |
| 6 | 2p | 12.895993 | .00234819 |
| 7 | 2p | 4.592435 | .07980189 |
| 8 | 4p | 7.613120 | -.01338032 |
| ORB.ENERGY,a.u. | -.123020 | ||
| NORM | .999992 | < R > | 11.821956 | < R2 > | 156.899660 | < 1/R > | .116106 | < 1/R**2 > | .051779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.684443 | -.12722764 |
| 2 | 1s | 9.740887 | .17937645 |
| 3 | 1s | 23.196929 | .00150318 |
| 4 | 2s | 4.422172 | -.30770292 |
| 5 | 3s | 1.735509 | .86907319 |
| 6 | 4s | 2.923288 | .19461060 |
| 7 | 5s | 47.964466 | -.00009375 |
| 8 | 5s | 1.428862 | .00697246 |
| 9 | 3s | 48.292472 | -.00005252 |
| ORB.ENERGY,a.u. | -.961360 | ||
| NORM | 1.000000 | < R > | 1.989961 | < R2 > | 4.525829 | < 1/R > | .667670 | < 1/R**2 > | 2.492599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.108401 | .48703359 |
| 2 | 3p | 5.418317 | .48553799 |
| 3 | 4p | 4.282762 | .12598989 |
| 4 | 5p | 2.927239 | .00313889 |
| 5 | 2p | 13.319210 | .01259904 |
| 6 | 5p | 28.756235 | -.00066811 |
| 7 | 4p | 38.074190 | -.00019428 |
| 8 | 2p | 85.353108 | .00000146 |
| ORB.ENERGY,a.u. | -4.476200 | ||
| NORM | 1.000000 | < R > | .534685 | < R2 > | .358502 | < 1/R > | 2.458745 | < 1/R**2 > | 8.534176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.461707 | .34890706 |
| 2 | 2s | 4.946528 | -.76788613 |
| 3 | 3s | 4.405492 | -.17047319 |
| 4 | 3s | 19.325649 | .00627781 |
| 5 | 2s | 6.385291 | -.18248357 |
| 6 | 4s | 16.974940 | .00742497 |
| 7 | 5s | 49.735282 | -.00005610 |
| 8 | 4s | 3.691212 | -.00359795 |
| 9 | 2s | 49.486632 | .00006342 |
| ORB.ENERGY,a.u. | -6.353600 | ||
| NORM | 1.000000 | < R > | .561869 | < R2 > | .375619 | < 1/R > | 2.594994 | < 1/R**2 > | 27.781267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.578246 | 1.01498829 |
| 2 | 2s | 18.788029 | -.02462717 |
| 3 | 3s | 9.555681 | .02363397 |
| 4 | 4s | 51.721873 | -.00009294 |
| 5 | 4s | 26.607779 | .00104145 |
| 6 | 2s | 85.639013 | .00000884 |
| 7 | 5s | 11.824113 | -.00906329 |
| 8 | 3s | 4.259047 | .00016852 |
| ORB.ENERGY,a.u. | -68.392000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.581929 | < 1/R**2 > | 372.414604 |
Total Energy= -288.11892283 a.u.
Kinetic Energy= 288.11890896 a.u.
Potential Energy= -576.23783180 a.u.
Virial Ratio = -2.00000005