(1s 2 2s 2 2p 1 5d 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 3d | 1.394972 | 3.54064737 |
| 2 | 4d | 1.402733 | -8.95816157 |
| 3 | 5d | 1.410745 | 6.06105292 |
| 4 | 3d | 4.466465 | .03165798 |
| 5 | 5d | 1.194624 | .03957669 |
| 6 | 5d | 6.577997 | -.01079743 |
| 7 | 4d | 12.141203 | .00014276 |
| 8 | 3d | 15.640345 | .00011879 |
| ORB.ENERGY,a.u. | -.986860 | ||
| NORM | .999997 | < R > | 4.881268 | < R2 > | 27.073380 | < 1/R > | .286103 | < 1/R**2 > | .169516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.678090 | 1.07916018 |
| 2 | 3p | 5.776179 | -.10302301 |
| 3 | 2p | 11.196328 | .02191423 |
| 4 | 5p | 13.628200 | .00439505 |
| 5 | 4p | 25.953984 | -.00034558 |
| 6 | 5p | 4.739365 | .00669363 |
| 7 | 5p | 83.295935 | -.00000522 |
| ORB.ENERGY,a.u. | -9.453600 | ||
| NORM | 1.000000 | < R > | .521783 | < R2 > | .330488 | < 1/R > | 2.431183 | < 1/R**2 > | 8.036391 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525942 | .34723373 |
| 2 | 2s | 4.278647 | -.79842578 |
| 3 | 3s | 6.408010 | -.27731284 |
| 4 | 4s | 22.609218 | .00153866 |
| 5 | 5s | 12.630259 | -.01414586 |
| 6 | 5s | 4.813762 | .02043227 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592181 | < R2 > | .410918 | < 1/R > | 2.461633 | < 1/R**2 > | 24.541524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194957 | .92230174 |
| 2 | 1s | 17.347323 | .07967754 |
| 3 | 2s | 9.607720 | .01719693 |
| 4 | 3s | 12.295785 | -.01627774 |
| 5 | 4s | 59.204009 | -.00007885 |
| 6 | 5s | 27.742971 | .00091153 |
| 7 | 4s | 3.337139 | .00002371 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129620 | < R2 > | .022532 | < 1/R > | 11.651844 | < 1/R**2 > | 273.786749 |
Total Energy= -172.73879212 a.u.
Kinetic Energy= 172.71956131 a.u.
Potential Energy= -345.45835343 a.u.
Virial Ratio = -2.00011134