(1s 2 2s 2 2p 2 5p 1 ) 4 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 3.083985 | .26039371 |
| 2 | 3p | 1.515456 | -2.81218348 |
| 3 | 4p | 1.350364 | 6.71473924 |
| 4 | 5p | 1.291685 | -4.46974878 |
| 5 | 4p | 1.000619 | -.30885395 |
| 6 | 2p | 7.180127 | .03214596 |
| 7 | 5p | 19.965788 | -.00081677 |
| 8 | 4p | 29.303814 | -.00022737 |
| 9 | 5p | .748161 | .00672344 |
| ORB.ENERGY,a.u. | -.798330 | ||
| NORM | 1.000001 | < R > | 5.489801 | < R2 > | 33.874050 | < 1/R > | .253568 | < 1/R**2 > | .199553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.541573 | 1.30032629 |
| 2 | 3p | 6.045668 | -.37116776 |
| 3 | 4p | 7.685560 | .06835898 |
| 4 | 5p | 1.667819 | .13813431 |
| 5 | 4p | 1.338689 | -.12749958 |
| 6 | 5p | 22.151022 | -.00187530 |
| 7 | 4p | 28.614818 | -.00082527 |
| 8 | 3p | 2.329914 | .00695006 |
| 9 | 3p | 38.891460 | -.00007367 |
| 10 | 5p | 1.104329 | -.01595548 |
| ORB.ENERGY,a.u. | -7.995800 | ||
| NORM | 1.000000 | < R > | .544721 | < R2 > | .371162 | < 1/R > | 2.347012 | < 1/R**2 > | 7.536035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.777527 | .37562585 |
| 2 | 2s | 4.907242 | -.82972568 |
| 3 | 3s | 5.089658 | -.27023270 |
| 4 | 4s | 19.285360 | .00266107 |
| 5 | 3s | 11.897921 | .01604336 |
| 6 | 5s | 5.045538 | -.03959435 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610227 | < R2 > | .437668 | < 1/R > | 2.384715 | < 1/R**2 > | 23.133371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156220 | .91174006 |
| 2 | 1s | 17.176056 | .08817454 |
| 3 | 2s | 10.283633 | .01906006 |
| 4 | 3s | 13.083789 | -.01555883 |
| 5 | 5s | 28.465388 | .00121209 |
| 6 | 4s | 69.252043 | -.00003997 |
| 7 | 5s | 9.001190 | .00062662 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129925 | < R2 > | .022662 | < 1/R > | 11.634498 | < 1/R**2 > | 273.156891 |
Total Energy= -180.80061821 a.u.
Kinetic Energy= 180.79786715 a.u.
Potential Energy= -361.59848536 a.u.
Virial Ratio = -2.00001522