(1s 2 2s 2 2p 4 3p 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 2.943032 | .25935237 |
| 2 | 3p | 1.550041 | -.89775266 |
| 3 | 4p | 2.008177 | -.19546543 |
| 4 | 2p | 7.088259 | .05411690 |
| 5 | 5p | 10.064636 | .00373462 |
| 6 | 5p | 27.018261 | -.00031171 |
| 7 | 4p | 40.716386 | -.00005923 |
| ORB.ENERGY,a.u. | -1.185200 | ||
| NORM | 1.000000 | < R > | 2.384285 | < R2 > | 6.379430 | < 1/R > | .510454 | < 1/R**2 > | .467995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.066709 | 1.52828717 |
| 2 | 3p | 5.407549 | -.75521707 |
| 3 | 4p | 6.746596 | .19602614 |
| 4 | 5p | 2.362134 | -.02067253 |
| 5 | 5p | 11.957996 | .01145112 |
| 6 | 4p | 13.219461 | .00690195 |
| 7 | 3p | 2.698947 | .02582481 |
| 8 | 4p | 1.575498 | -.01019922 |
| 9 | 3p | 33.538837 | .00003857 |
| ORB.ENERGY,a.u. | -4.474900 | ||
| NORM | 1.000000 | < R > | .597695 | < R2 > | .440328 | < 1/R > | 2.162588 | < 1/R**2 > | 6.508418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.849248 | .34783587 |
| 2 | 2s | 4.721477 | -.82818039 |
| 3 | 3s | 4.139332 | -.29262461 |
| 4 | 4s | 15.427722 | .01060304 |
| 5 | 3s | 18.109983 | .00331382 |
| 6 | 5s | 30.468241 | .00040139 |
| 7 | 5s | 4.047696 | -.00770743 |
| 8 | 4s | 2.157160 | -.00042284 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .650195 | < R2 > | .501058 | < 1/R > | 2.234212 | < 1/R**2 > | 20.482036 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247253 | .91852891 |
| 2 | 1s | 16.946752 | .07926683 |
| 3 | 2s | 6.401710 | .01944082 |
| 4 | 3s | 7.929288 | -.02003285 |
| 5 | 4s | 10.038638 | .00984355 |
| 6 | 5s | 28.491579 | .00091743 |
| 7 | 4s | 62.309975 | -.00005684 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130370 | < R2 > | .022855 | < 1/R > | 11.609858 | < 1/R**2 > | 272.270383 |
Total Energy= -193.20583989 a.u.
Kinetic Energy= 193.16787008 a.u.
Potential Energy= -386.37370998 a.u.
Virial Ratio = -2.00019656