(1s 2 2s 2 2p 1 5s 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 9.857576 | .07158955 |
| 2 | 2s | 1.627378 | -2.45363716 |
| 3 | 3s | 2.121241 | 4.09761685 |
| 4 | 4s | 1.388318 | -8.65863163 |
| 5 | 5s | 1.474278 | 8.02243622 |
| 6 | 5s | 14.317197 | -.00592718 |
| 7 | 4s | 7.402949 | -.02934761 |
| 8 | 4s | 21.031512 | -.00082097 |
| 9 | 5s | 66.285780 | -.00001916 |
| ORB.ENERGY,a.u. | -1.115000 | ||
| NORM | 1.000000 | < R > | 4.722099 | < R2 > | 24.951141 | < 1/R > | .303879 | < 1/R**2 > | .886145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.670199 | 1.07924245 |
| 2 | 3p | 5.770015 | -.10168794 |
| 3 | 2p | 11.301769 | .02167069 |
| 4 | 5p | 14.291639 | .00412043 |
| 5 | 4p | 26.742206 | -.00020219 |
| 6 | 5p | 4.639213 | .00537230 |
| 7 | 5p | 85.708185 | -.00000224 |
| ORB.ENERGY,a.u. | -9.475600 | ||
| NORM | 1.000000 | < R > | .522320 | < R2 > | .331118 | < 1/R > | 2.428591 | < 1/R**2 > | 8.019979 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.820527 | .33353843 |
| 2 | 2s | 3.855094 | -.82262937 |
| 3 | 3s | 6.631649 | -.33119385 |
| 4 | 4s | 4.287958 | .12674517 |
| 5 | 5s | 13.674258 | -.01283518 |
| 6 | 5s | 1.299752 | .02889757 |
| 7 | 4s | 1.146050 | -.02798906 |
| 8 | 3s | 43.363132 | -.00015621 |
| 9 | 5s | 95.248776 | .00002318 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .591628 | < R2 > | .410340 | < 1/R > | 2.464400 | < 1/R**2 > | 24.595233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.195063 | .92225332 |
| 2 | 1s | 17.349987 | .07965629 |
| 3 | 2s | 9.630563 | .01723260 |
| 4 | 3s | 12.359775 | -.01627121 |
| 5 | 4s | 60.644568 | -.00006971 |
| 6 | 5s | 27.786529 | .00099206 |
| 7 | 5s | 1.902157 | .00117598 |
| 8 | 3s | 1.046536 | -.00123414 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129628 | < R2 > | .022539 | < 1/R > | 11.651383 | < 1/R**2 > | 273.769214 |
Total Energy= -172.85191255 a.u.
Kinetic Energy= 172.84679126 a.u.
Potential Energy= -345.69870380 a.u.
Virial Ratio = -2.00002963