(1s 2 2s 2 2p 1 5p 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 4.007731 | .27406949 |
| 2 | 3p | 1.730083 | -2.56936154 |
| 3 | 4p | 1.497513 | 7.46627225 |
| 4 | 5p | 1.478634 | -5.68738266 |
| 5 | 2p | 8.742646 | .01712758 |
| 6 | 5p | 13.630388 | .00268752 |
| 7 | 5p | 3.156901 | -.12408192 |
| 8 | 4p | 39.763065 | -.00001839 |
| ORB.ENERGY,a.u. | -1.072300 | ||
| NORM | 1.000000 | < R > | 4.770823 | < R2 > | 25.584790 | < 1/R > | .301790 | < 1/R**2 > | .321538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.677147 | 1.07850519 |
| 2 | 3p | 5.768432 | -.10216908 |
| 3 | 2p | 11.249579 | .02174962 |
| 4 | 5p | 13.886594 | .00431401 |
| 5 | 4p | 26.128105 | -.00028282 |
| 6 | 5p | 4.804835 | .00665064 |
| 7 | 5p | 81.422662 | -.00000402 |
| ORB.ENERGY,a.u. | -9.492200 | ||
| NORM | 1.000000 | < R > | .521874 | < R2 > | .330578 | < 1/R > | 2.430687 | < 1/R**2 > | 8.033216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.527081 | .34712877 |
| 2 | 2s | 4.277371 | -.79829271 |
| 3 | 3s | 6.411158 | -.27721925 |
| 4 | 4s | 22.692335 | .00154592 |
| 5 | 5s | 12.564189 | -.01417521 |
| 6 | 5s | 4.793688 | .02036735 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592245 | < R2 > | .410997 | < 1/R > | 2.461294 | < 1/R**2 > | 24.535418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194489 | .92245849 |
| 2 | 1s | 17.364969 | .07947588 |
| 3 | 2s | 9.678951 | .01719591 |
| 4 | 3s | 12.375127 | -.01622920 |
| 5 | 4s | 59.590751 | -.00007676 |
| 6 | 5s | 27.702105 | .00093761 |
| 7 | 4s | 3.250025 | .00002077 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129631 | < R2 > | .022537 | < 1/R > | 11.651186 | < 1/R**2 > | 273.762113 |
Total Energy= -172.79325480 a.u.
Kinetic Energy= 172.80467260 a.u.
Potential Energy= -345.59792740 a.u.
Virial Ratio = -1.99993393