(1s 2 2s 2 2p 5 3p 1 ) 1 S Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 2.045021 | .83514683 |
| 2 | 3p | 1.967090 | -1.50595923 |
| 3 | 4p | 4.575161 | -.08856406 |
| 4 | 2p | 8.711905 | .04539550 |
| 5 | 5p | 14.217620 | .00202628 |
| 6 | 5p | 3.547749 | -.12906554 |
| 7 | 4p | 34.413493 | -.00005610 |
| 8 | 4p | 1.301566 | -.00190051 |
| ORB.ENERGY,a.u. | -1.776700 | ||
| NORM | 1.000000 | < R > | 2.005586 | < R2 > | 4.489876 | < 1/R > | .596561 | < 1/R**2 > | .603646 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.705969 | 1.62856665 |
| 2 | 3p | 6.075271 | -.79023373 |
| 3 | 4p | 7.465787 | .16033172 |
| 4 | 5p | 2.579175 | -.02453849 |
| 5 | 5p | 23.425024 | -.00257427 |
| 6 | 4p | 30.873999 | -.00125972 |
| 7 | 4p | 1.780354 | -.00421003 |
| 8 | 3p | 43.800854 | -.00010193 |
| ORB.ENERGY,a.u. | -6.612800 | ||
| NORM | 1.000000 | < R > | .501326 | < R2 > | .309946 | < 1/R > | 2.578013 | < 1/R**2 > | 9.243422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.402794 | .36025220 |
| 2 | 2s | 5.630477 | -.83024085 |
| 3 | 3s | 4.883310 | -.30232575 |
| 4 | 4s | 17.670090 | .00446687 |
| 5 | 3s | 16.243889 | .00668793 |
| 6 | 5s | 35.204637 | .00039869 |
| 7 | 5s | 4.046048 | -.00213962 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .548116 | < R2 > | .355897 | < 1/R > | 2.658969 | < 1/R**2 > | 29.059505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198790 | .91859823 |
| 2 | 1s | 19.536356 | .07829139 |
| 3 | 2s | 7.820220 | .02029687 |
| 4 | 3s | 9.782451 | -.02090894 |
| 5 | 4s | 12.289641 | .01073665 |
| 6 | 5s | 33.400938 | .00083096 |
| 7 | 4s | 75.193645 | -.00004288 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111322 | < R2 > | .016660 | < 1/R > | 13.589330 | < 1/R**2 > | 372.727481 |
Total Energy= -280.95484993 a.u.
Kinetic Energy= 280.87145010 a.u.
Potential Energy= -561.82630003 a.u.
Virial Ratio = -2.00029693