(1s 2 2s 2 2p 1 4p 1 ) 1 S Si 8+
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 | 5.816502 | .20833257 |
| 2 | 3p | 2.558863 | -.95548824 |
| 3 | 5p | 2.584668 | 1.38440407 |
| 4 | 4p | 3.750388 | -.31358891 |
| 5 | 5p | 7.305123 | .05656687 |
| 6 | 4p | 14.963970 | -.00411170 |
| 7 | 5p | 2.245687 | .23827510 |
| 8 | 5p | 35.414229 | -.00048817 |
| 9 | 4p | 54.436252 | -.00008980 |
| ORB.ENERGY,a.u. | -2.713900 | ||
| NORM | 1.000000 | < R > | 2.376333 | < R2 > | 6.364497 | < 1/R > | .538329 | < 1/R**2 > | .550598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.669705 | 1.03491957 |
| 2 | 3p | 2.989315 | -.11925340 |
| 3 | 2p | 12.482405 | .03264684 |
| 4 | 5p | 9.923910 | -.01907371 |
| 5 | 5p | 2.487910 | .14499347 |
| 6 | 4p | 26.841895 | -.00075908 |
| 7 | 3p | 42.867697 | -.00003264 |
| 8 | 3p | 1.426061 | .00187864 |
| ORB.ENERGY,a.u. | -14.149000 | ||
| NORM | 1.000000 | < R > | .436020 | < R2 > | .274393 | < 1/R > | 2.996995 | < 1/R**2 > | 12.150578 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.145995 | .36485763 |
| 2 | 2s | 5.195276 | -.80502411 |
| 3 | 3s | 7.621016 | -.28152195 |
| 4 | 4s | 25.979130 | .00158923 |
| 5 | 5s | 14.747035 | -.01077800 |
| 6 | 5s | 5.767191 | .01717086 |
| 7 | 4s | 2.476196 | .00029764 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494725 | < R2 > | .286523 | < 1/R > | 2.958928 | < 1/R**2 > | 35.434314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161899 | .92581783 |
| 2 | 1s | 20.250473 | .07453027 |
| 3 | 2s | 11.812530 | .01892648 |
| 4 | 3s | 14.734039 | -.01683782 |
| 5 | 4s | 70.944039 | -.00006318 |
| 6 | 5s | 32.186432 | .00086801 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110565 | < R2 > | .016382 | < 1/R > | 13.647726 | < 1/R**2 > | 375.201228 |
Total Energy= -241.31915334 a.u.
Kinetic Energy= 241.26983498 a.u.
Potential Energy= -482.58898832 a.u.
Virial Ratio = -2.00020441