(1s 2 2s 2 2p 5 3d 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 1.680207 | 1.01491013 |
| 2 | 3d | 6.553702 | .00866423 |
| 3 | 4d | 2.074815 | -.01695435 |
| 4 | 5d | 14.680025 | -.00017477 |
| ORB.ENERGY,a.u. | -1.400600 | ||
| NORM | 1.000000 | < R > | 2.076667 | < R2 > | 4.938035 | < 1/R > | .564070 | < 1/R**2 > | .385307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.372567 | 1.25427922 |
| 2 | 3p | 5.195028 | -.33611400 |
| 3 | 2p | 10.415469 | .07968357 |
| 4 | 4p | 12.356886 | .01448013 |
| 5 | 5p | 2.347647 | -.00045513 |
| 6 | 5p | 32.547240 | -.00012881 |
| ORB.ENERGY,a.u. | -6.738600 | ||
| NORM | 1.000000 | < R > | .506222 | < R2 > | .317463 | < 1/R > | 2.565751 | < 1/R**2 > | 9.185212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.391129 | .36129232 |
| 2 | 2s | 5.643394 | -.83114808 |
| 3 | 3s | 4.887805 | -.30254159 |
| 4 | 4s | 17.052140 | .00522816 |
| 5 | 3s | 16.783377 | .00650012 |
| 6 | 5s | 33.314368 | .00045691 |
| 7 | 5s | 4.145021 | -.00257008 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547558 | < R2 > | .355199 | < 1/R > | 2.662268 | < 1/R**2 > | 29.130271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199627 | .91834298 |
| 2 | 1s | 19.516253 | .07854758 |
| 3 | 2s | 7.793019 | .02029164 |
| 4 | 3s | 9.786488 | -.02091496 |
| 5 | 4s | 12.344720 | .01064326 |
| 6 | 5s | 33.430429 | .00088485 |
| 7 | 4s | 77.691956 | -.00003837 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111307 | < R2 > | .016654 | < 1/R > | 13.590445 | < 1/R**2 > | 372.774504 |
Total Energy= -280.54455193 a.u.
Kinetic Energy= 280.50256107 a.u.
Potential Energy= -561.04711300 a.u.
Virial Ratio = -2.00014970