(1s 2 2s 2 2p 1 ) 2 P Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 4.715321 | .97783838 |
| 2 | 2p | 8.765283 | .03630905 |
| 3 | 2p | 14.555276 | .00594630 |
| 4 | 3p | 4.265142 | .02455785 |
| 5 | 4p | 6.997063 | -.03377971 |
| 6 | 5p | 28.406081 | -.00024226 |
| 7 | 5p | 4.699893 | .00240050 |
| ORB.ENERGY,a.u. | -9.770900 | ||
| NORM | 1.000000 | < R > | .521795 | < R2 > | .330413 | < 1/R > | 2.430695 | < 1/R**2 > | 8.032492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.508210 | .34841128 |
| 2 | 2s | 4.311852 | -.79385017 |
| 3 | 3s | 6.298733 | -.28494758 |
| 4 | 4s | 4.349514 | .02232818 |
| 5 | 5s | 12.736562 | -.01514557 |
| 6 | 4s | 22.942474 | .00131258 |
| ORB.ENERGY,a.u. | -10.284000 | ||
| NORM | 1.000000 | < R > | .591693 | < R2 > | .410185 | < 1/R > | 2.463701 | < 1/R**2 > | 24.580194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.218048 | .93537221 |
| 2 | 1s | 18.051754 | .06726040 |
| 3 | 2s | 9.652186 | .02192739 |
| 4 | 3s | 15.457110 | -.01306081 |
| 5 | 5s | 29.551330 | .00117560 |
| 6 | 4s | 13.066844 | -.01015737 |
| 7 | 4s | 74.070249 | -.00002878 |
| ORB.ENERGY,a.u. | -58.325000 |
| NORM | 1.000000 | < R > | .129620 | < R2 > | .022532 | < 1/R > | 11.651867 | < 1/R**2 > | 273.787391 |
Total Energy= -171.73274425 a.u.
Kinetic Energy= 171.73274188 a.u.
Potential Energy= -343.46548613 a.u.
Virial Ratio = -2.00000001