(1s 2 2s 2 2p 5 4s 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 12.648561 | .06071754 |
| 2 | 2s | 2.223347 | -.93283650 |
| 3 | 3s | 2.205570 | 2.15295545 |
| 4 | 4s | 1.506342 | -1.56467370 |
| 5 | 5s | 3.163243 | -.24488744 |
| 6 | 4s | 10.065357 | -.04089711 |
| 7 | 5s | 18.855879 | -.00817029 |
| 8 | 4s | 26.283441 | -.00263615 |
| 9 | 5s | 69.631062 | -.00005460 |
| 10 | 4s | .889777 | .00195118 |
| 11 | 2s | 98.559440 | .00000602 |
| ORB.ENERGY,a.u. | -1.102200 | ||
| NORM | .999999 | < R > | 3.430471 | < R2 > | 13.219163 | < 1/R > | .401297 | < 1/R**2 > | 1.205307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.344554 | 1.25442256 |
| 2 | 3p | 5.136271 | -.33995250 |
| 3 | 2p | 10.406481 | .08180347 |
| 4 | 5p | 77.508493 | .00001217 |
| 5 | 4p | 12.381109 | .01595375 |
| 6 | 5p | 3.267163 | .00048563 |
| ORB.ENERGY,a.u. | -7.106100 | ||
| NORM | 1.000000 | < R > | .507089 | < R2 > | .318755 | < 1/R > | 2.562596 | < 1/R**2 > | 9.166027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.438990 | .31715507 |
| 2 | 2s | 4.759560 | -.76160945 |
| 3 | 3s | 7.770738 | -.22433883 |
| 4 | 4s | 5.652959 | -.07896440 |
| 5 | 5s | 16.432596 | -.00959987 |
| 6 | 5s | 1.696156 | -.02182353 |
| 7 | 4s | 65.460550 | -.00002924 |
| 8 | 3s | 1.249515 | .05288981 |
| 9 | 2s | 1.012374 | -.03802010 |
| 10 | 4s | .479655 | .00005238 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .546462 | < R2 > | .353730 | < 1/R > | 2.667070 | < 1/R**2 > | 29.224227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198839 | .91760859 |
| 2 | 1s | 19.471518 | .07925750 |
| 3 | 2s | 7.939084 | .01979360 |
| 4 | 3s | 9.936607 | -.01957302 |
| 5 | 4s | 12.436941 | .00998297 |
| 6 | 5s | 33.440164 | .00080669 |
| 7 | 3s | 50.979164 | -.00009896 |
| 8 | 5s | 1.840805 | .00092797 |
| 9 | 4s | 1.742924 | -.00073780 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111311 | < R2 > | .016657 | < 1/R > | 13.590130 | < 1/R**2 > | 372.760417 |
Total Energy= -280.21038236 a.u.
Kinetic Energy= 280.20264159 a.u.
Potential Energy= -560.41302394 a.u.
Virial Ratio = -2.00002763