(1s 2 2s 2 2p 1 4p 1 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4.591304 | .16753168 |
| 2 | 3p | 1.746233 | -.85620934 |
| 3 | 5p | 1.804747 | 1.25078125 |
| 4 | 4p | 2.673547 | -.32446687 |
| 5 | 5p | 5.527292 | .04572967 |
| 6 | 4p | 12.440609 | -.00354232 |
| 7 | 5p | 1.561983 | .33605322 |
| 8 | 5p | 28.245109 | -.00045684 |
| 9 | 4p | 43.748857 | -.00008556 |
| ORB.ENERGY,a.u. | -1.257800 | ||
| NORM | .999999 | < R > | 3.419391 | < R2 > | 13.179379 | < 1/R > | .373904 | < 1/R**2 > | .265666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.190170 | 1.02967026 |
| 2 | 3p | 1.645193 | -.24067321 |
| 3 | 2p | 10.129206 | .03300498 |
| 4 | 5p | 7.478868 | -.02908744 |
| 5 | 5p | 1.873085 | .12467872 |
| 6 | 4p | 12.690133 | .00268067 |
| 7 | 3p | 1.309944 | .15780432 |
| 8 | 5p | 25.006665 | -.00033637 |
| 9 | 5p | 1.170367 | -.00326846 |
| ORB.ENERGY,a.u. | -7.265500 | ||
| NORM | 1.000000 | < R > | .591408 | < R2 > | .508681 | < 1/R > | 2.216587 | < 1/R**2 > | 6.684223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.715907 | .33564208 |
| 2 | 2s | 3.811484 | -.79523590 |
| 3 | 3s | 5.832116 | -.27468010 |
| 4 | 4s | 20.618286 | .00179832 |
| 5 | 5s | 11.415486 | -.01472048 |
| 6 | 5s | 4.318930 | .02087910 |
| 7 | 4s | 1.776481 | .00037611 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658158 | < R2 > | .508045 | < 1/R > | 2.208808 | < 1/R**2 > | 19.769920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213152 | .92171274 |
| 2 | 1s | 16.003683 | .08105513 |
| 3 | 2s | 8.742309 | .01669336 |
| 4 | 3s | 11.357085 | -.01627158 |
| 5 | 4s | 54.226329 | -.00008555 |
| 6 | 5s | 25.197453 | .00101963 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141877 | < R2 > | .027010 | < 1/R > | 10.652203 | < 1/R**2 > | 229.001963 |
Total Energy= -143.71521472 a.u.
Kinetic Energy= 143.70379630 a.u.
Potential Energy= -287.41901102 a.u.
Virial Ratio = -2.00007946