(1s 2 2s 2 2p 4 4p 1 ) 2 S Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 6.574578 | .17346690 |
| 2 | 3p | 1.351994 | 1.93340234 |
| 3 | 4p | 2.527111 | -1.46408537 |
| 4 | 5p | 4.595102 | -.16619685 |
| 5 | 3p | 11.732306 | -.00452886 |
| 6 | 4p | 1.201187 | -.27010486 |
| 7 | 5p | 1.650149 | .23444592 |
| 8 | 4p | 29.165074 | -.00010962 |
| 9 | 3p | .462228 | .05021721 |
| 10 | 5p | .592244 | -.03353723 |
| ORB.ENERGY,a.u. | -1.337800 | ||
| NORM | .999999 | < R > | 3.219413 | < R2 > | 11.716637 | < 1/R > | .433907 | < 1/R**2 > | .547209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.645102 | 1.20786093 |
| 2 | 3p | 5.420978 | -.27830475 |
| 3 | 2p | 10.851165 | .06616667 |
| 4 | 4p | 12.880730 | .01371274 |
| 5 | 5p | 1.935022 | .00167399 |
| 6 | 5p | 22.980759 | -.00027693 |
| 7 | 4p | 69.305675 | .00001393 |
| 8 | 4p | 2.128264 | -.00109747 |
| ORB.ENERGY,a.u. | -8.542400 | ||
| NORM | 1.000000 | < R > | .484344 | < R2 > | .288597 | < 1/R > | 2.659777 | < 1/R**2 > | 9.783180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.322736 | .37431824 |
| 2 | 2s | 5.740942 | -.84064060 |
| 3 | 3s | 5.177441 | -.29602803 |
| 4 | 4s | 16.207071 | .00713583 |
| 5 | 3s | 17.343348 | .00709679 |
| 6 | 5s | 31.336214 | .00052163 |
| 7 | 5s | 4.604488 | -.00485338 |
| 8 | 4s | 2.864959 | .00099775 |
| 9 | 2s | 80.207211 | .00000497 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533510 | < R2 > | .335919 | < 1/R > | 2.733290 | < 1/R**2 > | 30.589087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204029 | .91799020 |
| 2 | 1s | 19.482262 | .07906694 |
| 3 | 2s | 8.062370 | .01967165 |
| 4 | 3s | 9.902647 | -.01997619 |
| 5 | 4s | 12.225706 | .00948367 |
| 6 | 5s | 33.719979 | .00088379 |
| 7 | 4s | 77.888042 | -.00003735 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111175 | < R2 > | .016605 | < 1/R > | 13.600366 | < 1/R**2 > | 373.190793 |
Total Energy= -272.96473132 a.u.
Kinetic Energy= 272.95342303 a.u.
Potential Energy= -545.91815435 a.u.
Virial Ratio = -2.00004143