(1s 2 2s 2 2p 2 4d 1 ) 4 F Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | 1.922107 | 1.01935152 |
| 2 | 4d | 1.505362 | -1.55172090 |
| 3 | 3d | 4.268887 | .08230708 |
| 4 | 4d | 5.317674 | -.02095081 |
| 5 | 5d | 1.115543 | .02711169 |
| 6 | 5d | 16.186123 | -.00050894 |
| 7 | 4d | 25.881254 | -.00005280 |
| 8 | 4d | .902235 | -.01591120 |
| ORB.ENERGY,a.u. | -1.184700 | ||
| NORM | 1.000000 | < R > | 3.287819 | < R2 > | 12.411524 | < 1/R > | .408527 | < 1/R**2 > | .283380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.353721 | 1.21097025 |
| 2 | 3p | 5.303252 | -.23249193 |
| 3 | 2p | 11.768461 | .01904119 |
| 4 | 4p | 12.728306 | .00445650 |
| 5 | 5p | 2.178070 | -.00655558 |
| 6 | 5p | 25.473930 | -.00035081 |
| 7 | 4p | 1.937672 | .00680433 |
| ORB.ENERGY,a.u. | -7.855500 | ||
| NORM | 1.000000 | < R > | .545945 | < R2 > | .363709 | < 1/R > | 2.338285 | < 1/R**2 > | 7.488597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.770089 | .37581282 |
| 2 | 2s | 4.914137 | -.82928497 |
| 3 | 3s | 5.078727 | -.27030071 |
| 4 | 4s | 19.181339 | .00263229 |
| 5 | 3s | 11.947405 | .01613149 |
| 6 | 5s | 5.046864 | -.04102937 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610670 | < R2 > | .438399 | < 1/R > | 2.383147 | < 1/R**2 > | 23.105203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156765 | .91173673 |
| 2 | 1s | 17.176262 | .08816885 |
| 3 | 2s | 10.305647 | .01904397 |
| 4 | 3s | 13.082968 | -.01555861 |
| 5 | 5s | 28.488045 | .00121163 |
| 6 | 4s | 69.191150 | -.00004008 |
| 7 | 5s | 8.920300 | .00064152 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129914 | < R2 > | .022658 | < 1/R > | 11.635154 | < 1/R**2 > | 273.181313 |
Total Energy= -181.16806018 a.u.
Kinetic Energy= 181.18450614 a.u.
Potential Energy= -362.35256632 a.u.
Virial Ratio = -1.99990923