(1s 2 2s 2 2p 2 4p 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 5.465284 | .17534684 |
| 2 | 3p | 1.198930 | -.49739500 |
| 3 | 5p | 1.739927 | 1.45017045 |
| 4 | 4p | 2.621805 | -.73556898 |
| 5 | 5p | 6.551696 | .03811396 |
| 6 | 4p | 15.418828 | -.00236402 |
| 7 | 5p | 1.414829 | .24152135 |
| 8 | 5p | 33.577018 | -.00029631 |
| 9 | 4p | 50.990125 | -.00006177 |
| ORB.ENERGY,a.u. | -1.265400 | ||
| NORM | 1.000000 | < R > | 3.413621 | < R2 > | 13.140304 | < 1/R > | .394162 | < 1/R**2 > | .388548 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.571655 | 1.28251301 |
| 2 | 3p | 6.096254 | -.33085740 |
| 3 | 4p | 7.696437 | .04798796 |
| 4 | 5p | 1.942117 | .10238073 |
| 5 | 4p | 1.777450 | -.17092110 |
| 6 | 3p | 1.432259 | .08795024 |
| 7 | 5p | 27.843920 | -.00023144 |
| 8 | 3p | 12.955952 | -.00553127 |
| 9 | 3p | 59.088822 | .00000354 |
| ORB.ENERGY,a.u. | -7.815600 | ||
| NORM | 1.000000 | < R > | .542417 | < R2 > | .363284 | < 1/R > | 2.352879 | < 1/R**2 > | 7.566596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.765864 | .37598160 |
| 2 | 2s | 4.915361 | -.82958020 |
| 3 | 3s | 5.094978 | -.27020397 |
| 4 | 4s | 19.648519 | .00260183 |
| 5 | 3s | 11.640028 | .01732226 |
| 6 | 5s | 5.049114 | -.04226953 |
| 7 | 4s | 1.254791 | .00013843 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610741 | < R2 > | .438470 | < 1/R > | 2.382712 | < 1/R**2 > | 23.097575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.155675 | .91176497 |
| 2 | 1s | 17.178234 | .08815716 |
| 3 | 2s | 10.271167 | .01906855 |
| 4 | 3s | 13.088286 | -.01555724 |
| 5 | 5s | 28.491000 | .00121155 |
| 6 | 4s | 69.226198 | -.00003831 |
| 7 | 5s | 9.061478 | .00062308 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129934 | < R2 > | .022666 | < 1/R > | 11.633969 | < 1/R**2 > | 273.137450 |
Total Energy= -181.28965971 a.u.
Kinetic Energy= 181.26469678 a.u.
Potential Energy= -362.55435650 a.u.
Virial Ratio = -2.00013772