(1s 2 2s 2 2p 5 4p 1 ) 3 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4.936470 | .14469003 |
| 2 | 3p | .524069 | 2.78490380 |
| 3 | 4p | 1.575543 | -.87526535 |
| 4 | 5p | 3.050318 | -.12601590 |
| 5 | 3p | 7.302830 | -.01762090 |
| 6 | 5p | .668764 | -1.53090162 |
| 7 | 4p | 20.987497 | -.00034814 |
| 8 | 3p | .164719 | -.34097346 |
| 9 | 5p | 64.484015 | -.00000962 |
| 10 | 5p | .248670 | .24738915 |
| 11 | 4p | .131555 | .05775339 |
| ORB.ENERGY,a.u. | -.382300 | ||
| NORM | 1.000000 | < R > | 5.613228 | < R2 > | 35.786032 | < 1/R > | .246044 | < 1/R**2 > | .185272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.352425 | 1.33154609 |
| 2 | 3p | 4.017938 | -.43096556 |
| 3 | 2p | 8.620055 | .09382786 |
| 4 | 4p | 9.990158 | .02157946 |
| 5 | 5p | 2.195729 | .00216080 |
| 6 | 4p | 1.084413 | -.00110164 |
| 7 | 3p | 16.606040 | .00008254 |
| 8 | 5p | 31.693509 | -.00010553 |
| ORB.ENERGY,a.u. | -3.694900 | ||
| NORM | 1.000000 | < R > | .640535 | < R2 > | .514031 | < 1/R > | 2.053128 | < 1/R**2 > | 5.960430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.892463 | .33560847 |
| 2 | 2s | 4.635107 | -.82492340 |
| 3 | 3s | 3.824416 | -.30259988 |
| 4 | 4s | 15.686728 | .00589299 |
| 5 | 3s | 14.440597 | .00647194 |
| 6 | 5s | 32.916423 | .00023067 |
| 7 | 5s | 2.384865 | -.00174864 |
| 8 | 4s | 3.023581 | .00147095 |
| 9 | 3s | 1.379616 | .00101652 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669498 | < R2 > | .533777 | < 1/R > | 2.170298 | < 1/R**2 > | 19.403270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193159 | .90716426 |
| 2 | 1s | 16.608276 | .09137989 |
| 3 | 2s | 6.093050 | .01902958 |
| 4 | 3s | 7.732420 | -.02091028 |
| 5 | 4s | 9.884054 | .01073645 |
| 6 | 5s | 28.710803 | .00102506 |
| 7 | 4s | 67.621667 | -.00004298 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130498 | < R2 > | .022912 | < 1/R > | 11.603044 | < 1/R**2 > | 272.028019 |
Total Energy= -196.31971719 a.u.
Kinetic Energy= 196.32273100 a.u.
Potential Energy= -392.64244819 a.u.
Virial Ratio = -1.99998465