(1s 2 2s 2 2p 5 4p 1 ) 3 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 6.301767 | .16893618 |
| 2 | 3p | 1.092561 | 1.90045165 |
| 3 | 4p | 2.283159 | -1.22080202 |
| 4 | 5p | 4.247942 | -.15537901 |
| 5 | 3p | 10.220866 | -.00897846 |
| 6 | 5p | 1.060557 | -.41365107 |
| 7 | 4p | .734673 | .19526228 |
| 8 | 5p | 32.166009 | -.00012039 |
| 9 | 5p | .657092 | -.08153677 |
| 10 | 3p | 27.239434 | -.00007095 |
| 11 | 3p | .459213 | .04209942 |
| ORB.ENERGY,a.u. | -.984270 | ||
| NORM | .999999 | < R > | 3.644813 | < R2 > | 15.024125 | < 1/R > | .383916 | < 1/R**2 > | .444891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.342934 | 1.26244752 |
| 2 | 3p | 5.137141 | -.34682469 |
| 3 | 2p | 10.438503 | .08042762 |
| 4 | 4p | 12.429347 | .01563251 |
| 5 | 5p | 1.746222 | -.00222798 |
| 6 | 4p | 1.676204 | .00214651 |
| 7 | 4p | 57.420368 | .00001829 |
| ORB.ENERGY,a.u. | -7.102200 | ||
| NORM | 1.000000 | < R > | .507076 | < R2 > | .318761 | < 1/R > | 2.562779 | < 1/R**2 > | 9.167507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.402143 | .36077507 |
| 2 | 2s | 5.636693 | -.82964196 |
| 3 | 3s | 4.907950 | -.30158269 |
| 4 | 4s | 17.793534 | .00455533 |
| 5 | 3s | 16.389886 | .00660878 |
| 6 | 5s | 35.332905 | .00034407 |
| 7 | 5s | 4.621099 | -.00366516 |
| 8 | 4s | 1.697926 | .00018478 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547426 | < R2 > | .354937 | < 1/R > | 2.662476 | < 1/R**2 > | 29.132180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199305 | .91834180 |
| 2 | 1s | 19.515322 | .07855305 |
| 3 | 2s | 7.786864 | .02031405 |
| 4 | 3s | 9.773561 | -.02094271 |
| 5 | 4s | 12.327601 | .01067393 |
| 6 | 5s | 33.186754 | .00087387 |
| 7 | 4s | 77.852610 | -.00004321 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111313 | < R2 > | .016656 | < 1/R > | 13.589977 | < 1/R**2 > | 372.754242 |
Total Energy= -280.08030883 a.u.
Kinetic Energy= 280.08595079 a.u.
Potential Energy= -560.16625962 a.u.
Virial Ratio = -1.99997986