(1s 1 4s 1 ) 1 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 2.303264 | .98610038 |
| 2 | 2s | 4.260865 | -2.82149984 |
| 3 | 3s | 3.241644 | 5.73532154 |
| 4 | 4s | 3.245647 | -5.03023142 |
| 5 | 5s | 9.069094 | .03707230 |
| 6 | 2s | 7.534143 | .21433881 |
| 7 | 4s | 26.609467 | .00078553 |
| 8 | 2s | 15.287492 | .00279540 |
| ORB.ENERGY,a.u. | -5.615100 | ||
| NORM | 1.000000 | < R > | 1.820065 | < R2 > | 3.729457 | < 1/R > | .757934 | < 1/R**2 > | 2.336088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.014105 | 1.00300292 |
| 2 | 2s | 2.552640 | .12215196 |
| 3 | 3s | 7.004033 | -.08401950 |
| 4 | 4s | 8.916713 | .02073657 |
| 5 | 5s | 3.403023 | -.10905120 |
| 6 | 5s | 22.106746 | -.00012865 |
| ORB.ENERGY,a.u. | -97.490000 |
| NORM | 1.000000 | < R > | .109870 | < R2 > | .023087 | < 1/R > | 14.059843 | < 1/R**2 > | 395.009311 |
Total Energy= -103.36601916 a.u.
Kinetic Energy= 103.34908036 a.u.
Potential Energy= -206.71509952 a.u.
Virial Ratio = -2.00016390