(1s 2 2s 2 2p 4 3d 1 ) 4 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d- electron | |
| 1 | 3d | 2.195365 | 1.14873348 |
| 2 | 3d | 5.542235 | .04906928 |
| 3 | 4d | 2.738961 | -.18537583 |
| 4 | 5d | 8.241145 | -.00165107 |
| 5 | 5d | 2.044770 | .01529247 |
| 6 | 4d | 33.768942 | .00003212 |
| ORB.ENERGY,a.u. | -2.149200 | ||
| NORM | 1.000000 | < R > | 1.562110 | < R2 > | 2.836613 | < 1/R > | .765947 | < 1/R**2 > | .731097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.154823 | 1.33846079 |
| 2 | 3p | 4.647497 | -.47450087 |
| 3 | 2p | 9.792365 | .11494347 |
| 4 | 4p | 11.346058 | .02133612 |
| 5 | 5p | 5.119969 | .01138835 |
| 6 | 4p | 3.926866 | -.01957540 |
| 7 | 5p | 34.455288 | -.00018991 |
| 8 | 3p | 2.596002 | .00299168 |
| 9 | 3p | 25.552803 | -.00009307 |
| ORB.ENERGY,a.u. | -8.245200 | ||
| NORM | 1.000000 | < R > | .486573 | < R2 > | .291793 | < 1/R > | 2.651719 | < 1/R**2 > | 9.735896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.285346 | .37581811 |
| 2 | 2s | 5.758172 | -.84178967 |
| 3 | 3s | 5.148414 | -.29723911 |
| 4 | 4s | 16.106504 | .00893566 |
| 5 | 3s | 18.517340 | .00564752 |
| 6 | 5s | 29.196158 | .00069554 |
| 7 | 5s | 4.695199 | -.00524123 |
| 8 | 3s | 44.776567 | -.00006878 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534279 | < R2 > | .337128 | < 1/R > | 2.730358 | < 1/R**2 > | 30.532825 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.205315 | .91771641 |
| 2 | 1s | 19.461843 | .07931944 |
| 3 | 2s | 8.051719 | .01965067 |
| 4 | 3s | 9.938287 | -.01990760 |
| 5 | 4s | 12.310771 | .00936121 |
| 6 | 5s | 33.780833 | .00094733 |
| 7 | 4s | 81.096878 | -.00003180 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111159 | < R2 > | .016599 | < 1/R > | 13.601632 | < 1/R**2 > | 373.245601 |
Total Energy= -273.71382872 a.u.
Kinetic Energy= 273.76566880 a.u.
Potential Energy= -547.47949752 a.u.
Virial Ratio = -1.99981064