(1s 2 2s 2 2p 1 3d 1 ) 3 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.157651 | .93212592 |
| 2 | 3d | 6.198912 | .03632110 |
| 3 | 4d | 2.758495 | .06043062 |
| 4 | 5d | 8.759772 | -.00258701 |
| 5 | 5d | 2.666471 | -.01071430 |
| 6 | 4d | 36.027965 | .00011765 |
| 7 | 5d | 50.176565 | -.00005010 |
| ORB.ENERGY,a.u. | -4.655700 | ||
| NORM | 1.000000 | < R > | 1.111304 | < R2 > | 1.420175 | < 1/R > | 1.059062 | < 1/R**2 > | 1.363001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.646262 | 1.10409448 |
| 2 | 3p | 7.201851 | -.13400841 |
| 3 | 2p | 13.063655 | .01668995 |
| 4 | 5p | 11.791013 | .01254016 |
| 5 | 4p | 4.386841 | .00262358 |
| 6 | 5p | 17.990197 | .00515517 |
| 7 | 5p | 58.765534 | -.00002253 |
| 8 | 3p | 3.247719 | -.00221265 |
| ORB.ENERGY,a.u. | -13.697000 | ||
| NORM | 1.000000 | < R > | .432023 | < R2 > | .226124 | < 1/R > | 2.929568 | < 1/R**2 > | 11.634292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.172101 | .36269975 |
| 2 | 2s | 5.165858 | -.80343990 |
| 3 | 3s | 7.656100 | -.27991109 |
| 4 | 4s | 26.302215 | .00135624 |
| 5 | 5s | 14.882145 | -.01167001 |
| 6 | 5s | 5.812668 | .01502795 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496219 | < R2 > | .288513 | < 1/R > | 2.950682 | < 1/R**2 > | 35.254297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165461 | .92627855 |
| 2 | 1s | 20.281956 | .07398524 |
| 3 | 2s | 11.982835 | .01870633 |
| 4 | 3s | 14.849659 | -.01662270 |
| 5 | 4s | 71.903267 | -.00005745 |
| 6 | 5s | 32.432094 | .00091536 |
| 7 | 5s | 8.225252 | .00008280 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649447 | < 1/R**2 > | 375.277284 |
Total Energy= -243.22436109 a.u.
Kinetic Energy= 243.21302596 a.u.
Potential Energy= -486.43738704 a.u.
Virial Ratio = -2.00004661