(1s 2 2s 2 2p 5 4s 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 12.789000 | .06319084 |
| 2 | 2s | 2.252466 | -.93769327 |
| 3 | 3s | 2.242492 | 2.14040530 |
| 4 | 4s | 1.515650 | -1.54355918 |
| 5 | 5s | 3.209205 | -.25438330 |
| 6 | 4s | 9.795933 | -.04683898 |
| 7 | 5s | 17.427088 | -.00985987 |
| 8 | 4s | 22.760596 | -.00386785 |
| 9 | 5s | 54.272252 | -.00003594 |
| 10 | 4s | .977747 | .00286982 |
| 11 | 2s | 48.366071 | .00006742 |
| ORB.ENERGY,a.u. | -1.113100 | ||
| NORM | .999999 | < R > | 3.397444 | < R2 > | 12.971802 | < 1/R > | .410606 | < 1/R**2 > | 1.333216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.343790 | 1.26320834 |
| 2 | 3p | 5.140794 | -.34728784 |
| 3 | 2p | 10.434125 | .08020886 |
| 4 | 3p | 39.422624 | .00003460 |
| 5 | 4p | 12.433121 | .01550527 |
| 6 | 5p | 3.174650 | .00049056 |
| 7 | 4p | 1.510715 | -.00022594 |
| ORB.ENERGY,a.u. | -7.117000 | ||
| NORM | 1.000000 | < R > | .507122 | < R2 > | .318818 | < 1/R > | 2.562557 | < 1/R**2 > | 9.165918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.563367 | .31204309 |
| 2 | 2s | 4.567331 | -.77523266 |
| 3 | 3s | 8.025028 | -.23149247 |
| 4 | 4s | 6.344737 | -.05432538 |
| 5 | 5s | 16.674047 | -.00839904 |
| 6 | 5s | 1.740578 | .00240642 |
| 7 | 4s | 2.953397 | -.00267512 |
| 8 | 3s | 40.837591 | -.00007553 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547307 | < R2 > | .354824 | < 1/R > | 2.663353 | < 1/R**2 > | 29.151927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199335 | .91842313 |
| 2 | 1s | 19.498776 | .07862429 |
| 3 | 2s | 7.492272 | .02078606 |
| 4 | 3s | 9.422869 | -.02193156 |
| 5 | 4s | 12.074887 | .01094597 |
| 6 | 5s | 33.316033 | .00089126 |
| 7 | 4s | 78.028148 | -.00003915 |
| 8 | 5s | 1.178779 | -.00008641 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111306 | < R2 > | .016654 | < 1/R > | 13.590468 | < 1/R**2 > | 372.774352 |
Total Energy= -280.21063812 a.u.
Kinetic Energy= 280.21352298 a.u.
Potential Energy= -560.42416110 a.u.
Virial Ratio = -1.99998970