(1s 2 2s 2 2p 5 3s 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 11.558065 | .12777945 |
| 2 | 2s | 4.434203 | -.51418994 |
| 3 | 3s | 2.284671 | 1.15671363 |
| 4 | 4s | 11.164708 | -.01578305 |
| 5 | 5s | 5.090303 | -.03622349 |
| 6 | 4s | 1.919839 | .01378242 |
| 7 | 5s | 31.515624 | .00027206 |
| ORB.ENERGY,a.u. | -2.291900 | ||
| NORM | 1.000000 | < R > | 1.671226 | < R2 > | 3.168420 | < 1/R > | .820185 | < 1/R**2 > | 3.992340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.238511 | 1.27533126 |
| 2 | 3p | 4.937888 | -.37417802 |
| 3 | 2p | 10.181939 | .09212126 |
| 4 | 4p | 12.140970 | .01734846 |
| 5 | 3p | 44.955722 | .00002462 |
| 6 | 5p | 2.798172 | .00113226 |
| 7 | 4p | 1.606362 | -.00018736 |
| ORB.ENERGY,a.u. | -6.833000 | ||
| NORM | 1.000000 | < R > | .508785 | < R2 > | .321346 | < 1/R > | 2.556706 | < 1/R**2 > | 9.130600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.571922 | .31118909 |
| 2 | 2s | 4.554970 | -.77708686 |
| 3 | 3s | 8.004222 | -.23205485 |
| 4 | 4s | 6.350118 | -.04979390 |
| 5 | 5s | 16.700852 | -.00861651 |
| 6 | 5s | 3.418024 | -.00606196 |
| 7 | 4s | 59.705849 | -.00003370 |
| 8 | 3s | 1.569153 | -.00088014 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .548891 | < R2 > | .357529 | < 1/R > | 2.658056 | < 1/R**2 > | 29.056562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202640 | .91923479 |
| 2 | 1s | 19.532340 | .07777860 |
| 3 | 2s | 7.499719 | .02079780 |
| 4 | 3s | 9.360181 | -.02147079 |
| 5 | 4s | 11.968247 | .01052869 |
| 6 | 5s | 33.480559 | .00081566 |
| 7 | 4s | 74.835876 | -.00004390 |
| 8 | 5s | 3.130056 | .00016803 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111304 | < R2 > | .016653 | < 1/R > | 13.590530 | < 1/R**2 > | 372.774926 |
Total Energy= -281.37971647 a.u.
Kinetic Energy= 281.38937370 a.u.
Potential Energy= -562.76909017 a.u.
Virial Ratio = -1.99996568