(1s 2 2s 2 2p 3 4p 1 ) 3 P Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 5.523588 | .14884328 |
| 2 | 3p | 1.126608 | 2.20050239 |
| 3 | 4p | 2.049834 | -1.64871354 |
| 4 | 5p | 3.741516 | -.19165316 |
| 5 | 3p | 9.301548 | -.00614807 |
| 6 | 5p | 1.035996 | -.14120116 |
| 7 | 4p | .711849 | .03843773 |
| 8 | 5p | 31.118651 | -.00011620 |
| 9 | 4p | 51.008540 | -.00001171 |
| 10 | 3p | .495623 | -.00949333 |
| ORB.ENERGY,a.u. | -.921720 | ||
| NORM | .999999 | < R > | 3.903368 | < R2 > | 17.190188 | < 1/R > | .346476 | < 1/R**2 > | .314038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.282341 | 1.42484997 |
| 2 | 3p | 5.583017 | -.53666211 |
| 3 | 4p | 6.966084 | .10706614 |
| 4 | 5p | 1.841595 | .02946289 |
| 5 | 4p | 18.296712 | -.00342097 |
| 6 | 4p | 1.712750 | -.08766122 |
| 7 | 5p | 38.338593 | -.00006774 |
| 8 | 3p | 1.322953 | .06902922 |
| 9 | 3p | 25.476169 | -.00043980 |
| ORB.ENERGY,a.u. | -6.464900 | ||
| NORM | 1.000000 | < R > | .568451 | < R2 > | .397948 | < 1/R > | 2.258857 | < 1/R**2 > | 7.032664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.755594 | .36462267 |
| 2 | 2s | 4.839616 | -.83899323 |
| 3 | 3s | 4.511718 | -.28037262 |
| 4 | 4s | 19.582987 | .00245121 |
| 5 | 3s | 11.658450 | .01679771 |
| 6 | 5s | 4.624733 | -.01976665 |
| 7 | 4s | 1.133388 | .00012172 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .629737 | < R2 > | .467860 | < 1/R > | 2.307952 | < 1/R**2 > | 21.762605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.166844 | .91184941 |
| 2 | 1s | 17.088735 | .08750523 |
| 3 | 2s | 9.768402 | .01782843 |
| 4 | 3s | 13.877143 | -.01495420 |
| 5 | 4s | 22.011878 | .00341703 |
| 6 | 5s | 40.383898 | .00010225 |
| 7 | 5s | 8.250085 | .00072897 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130176 | < R2 > | .022771 | < 1/R > | 11.620440 | < 1/R**2 > | 272.649644 |
Total Energy= -187.79610477 a.u.
Kinetic Energy= 187.78193346 a.u.
Potential Energy= -375.57803823 a.u.
Virial Ratio = -2.00007547