(1s 2 2s 2 2p 3 5s 1 ) 3 S Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 11.411000 | .06316390 |
| 2 | 2s | 3.749179 | -.40265179 |
| 3 | 3s | 1.979715 | 2.55129643 |
| 4 | 4s | 1.750187 | -4.85112445 |
| 5 | 5s | 1.522452 | 3.20884807 |
| 6 | 4s | 12.004365 | -.00627372 |
| 7 | 5s | 30.200663 | .00013420 |
| ORB.ENERGY,a.u. | -1.164000 | ||
| NORM | .999999 | < R > | 4.526196 | < R2 > | 22.925165 | < 1/R > | .313786 | < 1/R**2 > | .930647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.252520 | 1.36013532 |
| 2 | 3p | 6.691735 | -.45575782 |
| 3 | 4p | 8.135455 | .09137257 |
| 4 | 5p | 22.969066 | -.00254364 |
| 5 | 4p | 3.439356 | .01065308 |
| 6 | 4p | 29.195420 | -.00151258 |
| 7 | 5p | 3.592162 | -.00579069 |
| 8 | 3p | 1.904468 | .00005387 |
| 9 | 3p | 39.008558 | -.00016097 |
| ORB.ENERGY,a.u. | -10.856000 | ||
| NORM | 1.000000 | < R > | .462734 | < R2 > | .261525 | < 1/R > | 2.761096 | < 1/R**2 > | 10.447923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.175405 | .34537792 |
| 2 | 2s | 5.061515 | -.78996113 |
| 3 | 3s | 7.817075 | -.24987610 |
| 4 | 4s | 22.510768 | .00357983 |
| 5 | 5s | 7.157117 | -.04858346 |
| 6 | 4s | 1.438280 | .02559490 |
| 7 | 5s | 1.955404 | -.02528067 |
| 8 | 2s | 34.936332 | -.00012442 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .519244 | < R2 > | .317532 | < 1/R > | 2.811620 | < 1/R**2 > | 32.238797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.170443 | .92673305 |
| 2 | 1s | 20.348041 | .07182138 |
| 3 | 2s | 11.858530 | .01812806 |
| 4 | 3s | 16.618005 | -.01483036 |
| 5 | 4s | 25.743458 | .00295838 |
| 6 | 5s | 46.532549 | .00011120 |
| 7 | 5s | 10.258248 | .00083951 |
| 8 | 4s | 1.696539 | .00338929 |
| 9 | 3s | 1.245914 | -.00344558 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111003 | < R2 > | .016545 | < 1/R > | 13.613608 | < 1/R**2 > | 373.750280 |
Total Energy= -263.79969282 a.u.
Kinetic Energy= 263.79149683 a.u.
Potential Energy= -527.59118965 a.u.
Virial Ratio = -2.00003107