(1s 2 2s 2 2p 1 4p 1 ) 1 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 6.304328 | .29635730 |
| 2 | 3p | 2.485296 | -.67263393 |
| 3 | 5p | 2.640781 | 1.23419606 |
| 4 | 4p | 3.793820 | -.51550071 |
| 5 | 5p | 8.090235 | .02991263 |
| 6 | 4p | 19.326946 | -.00289670 |
| 7 | 5p | 2.336363 | .35233324 |
| 8 | 5p | 43.109457 | -.00029434 |
| 9 | 4p | 66.070758 | -.00005951 |
| ORB.ENERGY,a.u. | -2.784200 | ||
| NORM | 1.000001 | < R > | 2.328753 | < R2 > | 6.134781 | < 1/R > | .608825 | < 1/R**2 > | 1.032263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.644473 | 1.11076346 |
| 2 | 3p | 6.971915 | -.13111347 |
| 3 | 2p | 14.101551 | .01364425 |
| 4 | 5p | 11.633122 | .00584519 |
| 5 | 4p | 2.565635 | -.00002464 |
| 6 | 5p | 18.169517 | .00362564 |
| 7 | 5p | 4.404526 | .00099000 |
| ORB.ENERGY,a.u. | -14.220000 | ||
| NORM | 1.000000 | < R > | .431053 | < R2 > | .225118 | < 1/R > | 2.935663 | < 1/R**2 > | 11.678995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.147486 | .36476434 |
| 2 | 2s | 5.194292 | -.80475101 |
| 3 | 3s | 7.621820 | -.28154240 |
| 4 | 4s | 26.008626 | .00156749 |
| 5 | 5s | 14.752192 | -.01089468 |
| 6 | 5s | 5.750577 | .01710459 |
| 7 | 4s | 2.492819 | .00028942 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494753 | < R2 > | .286556 | < 1/R > | 2.958734 | < 1/R**2 > | 35.429608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161902 | .92581042 |
| 2 | 1s | 20.251602 | .07452798 |
| 3 | 2s | 11.819856 | .01893685 |
| 4 | 3s | 14.737006 | -.01684110 |
| 5 | 4s | 71.008274 | -.00006328 |
| 6 | 5s | 32.159678 | .00086944 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110565 | < R2 > | .016382 | < 1/R > | 13.647739 | < 1/R**2 > | 375.201614 |
Total Energy= -241.30791786 a.u.
Kinetic Energy= 241.34001027 a.u.
Potential Energy= -482.64792812 a.u.
Virial Ratio = -1.99986702