(1s 2 2s 2 2p 3 5s 1 ) 3 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 10.399242 | .02626605 |
| 2 | 2s | 2.569779 | -.17910811 |
| 3 | 3s | 1.188117 | 1.04159861 |
| 4 | 4s | .846430 | -2.58839551 |
| 5 | 5s | .707235 | 2.32227090 |
| 6 | 5s | 9.030157 | -.00973274 |
| 7 | 4s | 19.304920 | .00129141 |
| 8 | 2s | 12.494288 | .00470434 |
| 9 | 5s | 56.113680 | .00003972 |
| ORB.ENERGY,a.u. | -.243000 | ||
| NORM | 1.000002 | < R > | 9.292936 | < R2 > | 96.687908 | < 1/R > | .148402 | < 1/R**2 > | .184299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.016649 | .01600931 |
| 2 | 3p | 3.126663 | -.00271094 |
| 3 | 4p | 2.699273 | .01213791 |
| 4 | 5p | 12.597309 | .00261453 |
| 5 | 2p | 3.005213 | .76919787 |
| 6 | 2p | 4.947511 | .24242317 |
| ORB.ENERGY,a.u. | -3.397100 | ||
| NORM | 1.000000 | < R > | .743210 | < R2 > | .682842 | < 1/R > | 1.744142 | < 1/R**2 > | 4.241685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.237821 | .33529684 |
| 2 | 2s | 3.844619 | -.83410147 |
| 3 | 3s | 3.303397 | -.29189381 |
| 4 | 4s | 11.338921 | .00780216 |
| 5 | 3s | 11.792733 | .01277825 |
| 6 | 5s | 1.049400 | -.01653904 |
| 7 | 4s | .616948 | .00878022 |
| 8 | 5s | 34.169392 | -.00011213 |
| 9 | 3s | 28.935494 | -.00020684 |
| 10 | 2s | .467808 | .00906381 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .796832 | < R2 > | .755179 | < 1/R > | 1.814611 | < 1/R**2 > | 13.466698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.071980 | .86501498 |
| 2 | 1s | 13.086194 | .14370030 |
| 3 | 1s | 6.118039 | -.00177896 |
| 4 | 3s | 6.421428 | .00401211 |
| 5 | 4s | 19.896537 | .00260695 |
| 6 | 2s | 8.907732 | -.00624785 |
| 7 | 4s | 60.762197 | -.00001277 |
| 8 | 5s | 21.538258 | .00052507 |
| 9 | 3s | .194775 | -.00023837 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157279 | < R2 > | .033297 | < 1/R > | 9.630589 | < 1/R**2 > | 187.561985 |
Total Energy= -124.35002584 a.u.
Kinetic Energy= 124.34709272 a.u.
Potential Energy= -248.69711857 a.u.
Virial Ratio = -2.00002359