(1s 2 2s 2 2p 1 5p 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.804729 | .20046893 |
| 2 | 3p | 1.371169 | -1.94044934 |
| 3 | 4p | 1.114334 | 5.53341367 |
| 4 | 5p | 1.063515 | -4.35611148 |
| 5 | 2p | 7.053977 | .01260301 |
| 6 | 5p | 11.116488 | .00195358 |
| 7 | 5p | 2.303747 | -.08854594 |
| 8 | 4p | .837816 | -.02665324 |
| ORB.ENERGY,a.u. | -.556620 | ||
| NORM | .999998 | < R > | 6.547424 | < R2 > | 48.195168 | < 1/R > | .206087 | < 1/R**2 > | .106349 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.925004 | .94326809 |
| 2 | 3p | .706977 | -.34181525 |
| 3 | 2p | 9.139330 | .02440163 |
| 4 | 5p | 4.648942 | .06781519 |
| 5 | 4p | 16.800396 | -.00148918 |
| 6 | 5p | 1.433506 | .22834704 |
| 7 | 4p | .724628 | .11880483 |
| 8 | 2p | 27.018198 | .00006877 |
| ORB.ENERGY,a.u. | -5.587600 | ||
| NORM | 1.000000 | < R > | .672789 | < R2 > | .671414 | < 1/R > | 1.936282 | < 1/R**2 > | 5.121872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.894717 | .32344402 |
| 2 | 2s | 3.357793 | -.79367294 |
| 3 | 3s | 5.253440 | -.27159680 |
| 4 | 4s | 18.201180 | .00232924 |
| 5 | 5s | 10.309644 | -.01519389 |
| 6 | 5s | 3.792781 | .02305752 |
| 7 | 4s | 38.405316 | .00003916 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738967 | < R2 > | .641022 | < 1/R > | 1.960929 | < 1/R**2 > | 15.582207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.637518 | .00028795 |
| 2 | 1s | 9.270974 | .89170798 |
| 3 | 1s | 13.710033 | .10448975 |
| 4 | 2s | 7.446143 | .01494863 |
| 5 | 3s | 10.860038 | -.00733970 |
| 6 | 4s | 18.666043 | .00417534 |
| 7 | 5s | 10.249276 | -.00185842 |
| 8 | 5s | 36.901896 | .00007977 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156639 | < R2 > | .032942 | < 1/R > | 9.654810 | < 1/R**2 > | 188.283777 |
Total Energy= -116.46698626 a.u.
Kinetic Energy= 116.46736857 a.u.
Potential Energy= -232.93435483 a.u.
Virial Ratio = -1.99999672