(1s 2 2s 2 2p 2 5p 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 5p- electron | |
| 1 | 2p | 3.273845 | .23415562 |
| 2 | 3p | 1.622686 | -2.19046600 |
| 3 | 4p | 1.354579 | 5.77950915 |
| 4 | 5p | 1.290329 | -4.14404565 |
| 5 | 2p | 6.671428 | .05330873 |
| 6 | 5p | 20.559508 | -.00098934 |
| 7 | 4p | 1.066909 | -.30504933 |
| 8 | 4p | 30.315579 | -.00026088 |
| ORB.ENERGY,a.u. | -.805690 | ||
| NORM | .999997 | < R > | 5.437311 | < R2 > | 33.233445 | < 1/R > | .263863 | < 1/R**2 > | .250920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.348606 | 1.19947474 |
| 2 | 3p | 5.235548 | -.22344719 |
| 3 | 2p | 12.077972 | .01923406 |
| 4 | 4p | 13.587338 | .00867930 |
| 5 | 5p | 18.679190 | -.00144500 |
| 6 | 5p | 3.828187 | .00063340 |
| 7 | 3p | 28.318421 | .00018211 |
| ORB.ENERGY,a.u. | -8.003200 | ||
| NORM | 1.000000 | < R > | .544645 | < R2 > | .361842 | < 1/R > | 2.342760 | < 1/R**2 > | 7.513484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.776496 | .37567839 |
| 2 | 2s | 4.908401 | -.82961660 |
| 3 | 3s | 5.090136 | -.27023480 |
| 4 | 4s | 19.271719 | .00266017 |
| 5 | 3s | 11.895919 | .01609912 |
| 6 | 5s | 5.051066 | -.03986726 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610238 | < R2 > | .437684 | < 1/R > | 2.384671 | < 1/R**2 > | 23.132584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156084 | .91175140 |
| 2 | 1s | 17.177602 | .08816447 |
| 3 | 2s | 10.288115 | .01905590 |
| 4 | 3s | 13.086497 | -.01555765 |
| 5 | 5s | 28.479131 | .00121212 |
| 6 | 4s | 69.253813 | -.00003919 |
| 7 | 5s | 9.003262 | .00062707 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129925 | < R2 > | .022662 | < 1/R > | 11.634474 | < 1/R**2 > | 273.155932 |
Total Energy= -180.80154315 a.u.
Kinetic Energy= 180.80518916 a.u.
Potential Energy= -361.60673231 a.u.
Virial Ratio = -1.99997983