(1s 2 2s 2 2p 5 4p 1 ) 1 S Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 5.737080 | .13305413 |
| 2 | 3p | 1.108079 | 2.19642207 |
| 3 | 4p | 2.065774 | -1.59645341 |
| 4 | 5p | 3.749073 | -.18689950 |
| 5 | 3p | 8.188322 | -.02200497 |
| 6 | 5p | 1.097013 | -.21028450 |
| 7 | 4p | 25.976625 | -.00019144 |
| 8 | 3p | .714234 | .03620504 |
| 9 | 5p | 83.898062 | -.00000432 |
| ORB.ENERGY,a.u. | -.927290 | ||
| NORM | .999999 | < R > | 3.888211 | < R2 > | 17.025234 | < 1/R > | .336257 | < 1/R**2 > | .260005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.479124 | 1.26480323 |
| 2 | 3p | 5.473916 | -.32884164 |
| 3 | 2p | 10.732891 | .06460071 |
| 4 | 4p | 11.633295 | .01020082 |
| 5 | 5p | 1.509101 | .02318471 |
| 6 | 4p | 2.063912 | -.01258242 |
| 7 | 5p | 17.808724 | .00232146 |
| ORB.ENERGY,a.u. | -7.045200 | ||
| NORM | 1.000000 | < R > | .505683 | < R2 > | .319851 | < 1/R > | 2.568816 | < 1/R**2 > | 9.199883 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.401346 | .36084483 |
| 2 | 2s | 5.636013 | -.83030684 |
| 3 | 3s | 4.901439 | -.30173708 |
| 4 | 4s | 17.628926 | .00465086 |
| 5 | 3s | 16.471698 | .00657102 |
| 6 | 5s | 34.818604 | .00037152 |
| 7 | 5s | 4.560020 | -.00261798 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547343 | < R2 > | .354804 | < 1/R > | 2.662753 | < 1/R**2 > | 29.137055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199305 | .91834375 |
| 2 | 1s | 19.515772 | .07855140 |
| 3 | 2s | 7.787106 | .02031135 |
| 4 | 3s | 9.775681 | -.02093716 |
| 5 | 4s | 12.328192 | .01067212 |
| 6 | 5s | 33.229565 | .00087485 |
| 7 | 4s | 77.817677 | -.00004232 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111312 | < R2 > | .016656 | < 1/R > | 13.590019 | < 1/R**2 > | 372.756274 |
Total Energy= -280.06295013 a.u.
Kinetic Energy= 280.02914367 a.u.
Potential Energy= -560.09209380 a.u.
Virial Ratio = -2.00012072