(1s 2 2s 2 2p 5 3s 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 10.207416 | .08546009 |
| 2 | 2s | 3.642942 | -.34337471 |
| 3 | 3s | 1.608978 | 1.01849287 |
| 4 | 4s | 9.820782 | -.01434980 |
| 5 | 5s | 4.016255 | -.03590611 |
| 6 | 4s | 1.271250 | .12475016 |
| 7 | 5s | 1.281057 | -.03858699 |
| 8 | 5s | 62.251456 | -.00001822 |
| ORB.ENERGY,a.u. | -.970030 | ||
| NORM | 1.000000 | < R > | 2.383563 | < R2 > | 6.433650 | < 1/R > | .542299 | < 1/R**2 > | 1.526028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.255045 | 1.35674432 |
| 2 | 3p | 3.862420 | -.46792633 |
| 3 | 2p | 8.420385 | .10595981 |
| 4 | 5p | 2.274738 | .02050214 |
| 5 | 4p | 9.789105 | .02351938 |
| 6 | 4p | 2.014480 | -.02292488 |
| 7 | 5p | 31.894425 | -.00011198 |
| ORB.ENERGY,a.u. | -3.449000 | ||
| NORM | 1.000000 | < R > | .642444 | < R2 > | .517601 | < 1/R > | 2.048660 | < 1/R**2 > | 5.938405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.940336 | .28952533 |
| 2 | 2s | 3.617290 | -.76953608 |
| 3 | 3s | 6.926732 | -.23150640 |
| 4 | 4s | 5.699986 | -.05396222 |
| 5 | 5s | 13.923208 | -.00985176 |
| 6 | 5s | 2.032790 | .00701653 |
| 7 | 3s | 38.832902 | -.00008124 |
| 8 | 3s | .862914 | .00033633 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .666278 | < R2 > | .527388 | < 1/R > | 2.178247 | < 1/R**2 > | 19.525883 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.197841 | .90710280 |
| 2 | 1s | 16.608485 | .09108495 |
| 3 | 2s | 6.409533 | .01772923 |
| 4 | 3s | 8.129616 | -.01777245 |
| 5 | 4s | 10.250334 | .00933776 |
| 6 | 5s | 28.952185 | .00108867 |
| 7 | 4s | 70.053115 | -.00003610 |
| 8 | 5s | 2.209892 | -.00040977 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130502 | < R2 > | .022915 | < 1/R > | 11.602818 | < 1/R**2 > | 272.019097 |
Total Energy= -196.92366840 a.u.
Kinetic Energy= 196.90916864 a.u.
Potential Energy= -393.83283704 a.u.
Virial Ratio = -2.00007364