(1s 2 2s 2 2p 5 4s 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 11.495127 | .04066664 |
| 2 | 2s | 1.685533 | -.53765929 |
| 3 | 3s | 1.581765 | 1.55688709 |
| 4 | 4s | .983923 | -1.35696028 |
| 5 | 5s | 2.275125 | -.24116630 |
| 6 | 4s | 7.467956 | -.04853581 |
| 7 | 5s | 13.487214 | -.01581162 |
| 8 | 4s | 17.960365 | -.00645354 |
| 9 | 5s | 45.302501 | -.00011266 |
| 10 | 2s | 53.115797 | .00003145 |
| ORB.ENERGY,a.u. | -.448000 | ||
| NORM | 1.000002 | < R > | 5.064849 | < R2 > | 28.862047 | < 1/R > | .266524 | < 1/R**2 > | .495844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.337425 | 1.35050333 |
| 2 | 3p | 4.005230 | -.44753961 |
| 3 | 2p | 8.641107 | .09283901 |
| 4 | 4p | 10.032031 | .02132860 |
| 5 | 5p | 2.330452 | .01570245 |
| 6 | 3p | 16.579508 | .00009960 |
| 7 | 4p | 2.032051 | -.01675272 |
| 8 | 5p | 31.596711 | -.00010591 |
| ORB.ENERGY,a.u. | -3.688100 | ||
| NORM | 1.000000 | < R > | .640613 | < R2 > | .514125 | < 1/R > | 2.052842 | < 1/R**2 > | 5.958835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.777593 | .29551794 |
| 2 | 2s | 3.812674 | -.77426173 |
| 3 | 3s | 6.606664 | -.21301462 |
| 4 | 4s | 4.467974 | -.06280872 |
| 5 | 5s | 13.777653 | -.01102879 |
| 6 | 5s | 1.376337 | -.02694249 |
| 7 | 4s | 52.448013 | -.00007075 |
| 8 | 3s | 1.061539 | .09579634 |
| 9 | 2s | .856465 | -.07927910 |
| 10 | 3s | 93.020170 | -.00000756 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .668476 | < R2 > | .532319 | < 1/R > | 2.173344 | < 1/R**2 > | 19.452151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.196901 | .90752211 |
| 2 | 1s | 16.637382 | .09069458 |
| 3 | 2s | 6.593565 | .01789145 |
| 4 | 3s | 8.417236 | -.01860655 |
| 5 | 4s | 10.471145 | .00994022 |
| 6 | 5s | 28.888700 | .00109598 |
| 7 | 4s | 69.952593 | -.00003643 |
| 8 | 5s | .831446 | .00021948 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130497 | < R2 > | .022914 | < 1/R > | 11.603125 | < 1/R**2 > | 272.030773 |
Total Energy= -196.39231167 a.u.
Kinetic Energy= 196.38803651 a.u.
Potential Energy= -392.78034818 a.u.
Virial Ratio = -2.00002177