(1s 2 2s 1 4s 1 ) 3 S Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 7.872819 | .12763270 |
| 2 | 2s | 2.106022 | -1.60201236 |
| 3 | 3s | 1.914510 | 4.56582738 |
| 4 | 4s | 1.857434 | -3.80065504 |
| 5 | 5s | 3.463285 | .15180290 |
| 6 | 4s | 6.716234 | -.05155813 |
| 7 | 5s | 20.974808 | .00079498 |
| 8 | 4s | 80.019780 | -.00001133 |
| ORB.ENERGY,a.u. | -1.693900 | ||
| NORM | 1.000000 | < R > | 3.113581 | < R2 > | 10.883531 | < 1/R > | .463918 | < 1/R**2 > | 1.689649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.114806 | .40461318 |
| 2 | 2s | 4.159962 | -.86539500 |
| 3 | 3s | 4.892092 | -.25369710 |
| 4 | 4s | 12.198669 | .02699256 |
| 5 | 3s | 13.358746 | .00787822 |
| 6 | 5s | 7.955938 | -.00897717 |
| 7 | 5s | 15.358762 | -.00551576 |
| 8 | 4s | 4.269852 | -.01510198 |
| ORB.ENERGY,a.u. | -8.385600 | ||
| NORM | 1.000000 | < R > | .687965 | < R2 > | .552112 | < 1/R > | 2.125017 | < 1/R**2 > | 18.240261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.165975 | .87649061 |
| 2 | 1s | 13.606401 | .12383559 |
| 3 | 2s | 7.250031 | .02600417 |
| 4 | 3s | 9.067851 | -.02615338 |
| 5 | 4s | 18.959047 | .00282508 |
| 6 | 5s | 13.173473 | .00087590 |
| 7 | 3s | 29.021854 | -.00015141 |
| 8 | 5s | 1.528011 | .00022014 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156158 | < R2 > | .032706 | < 1/R > | 9.675222 | < 1/R**2 > | 188.921864 |
Total Energy= -104.31529803 a.u.
Kinetic Energy= 104.32368830 a.u.
Potential Energy= -208.63898632 a.u.
Virial Ratio = -1.99991957