(1s 2 2s 2 2p 2 4d 1 ) 2 F Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 4d- electron | |
| 1 | 3d | 1.183347 | 1.34235691 |
| 2 | 4d | .995213 | -1.78499067 |
| 3 | 3d | 4.338879 | .01520060 |
| 4 | 5d | 2.113952 | -.03957862 |
| 5 | 4d | 8.100484 | -.00038256 |
| 6 | 5d | .633934 | .00104534 |
| ORB.ENERGY,a.u. | -.509360 | ||
| NORM | .999999 | < R > | 5.120716 | < R2 > | 30.081198 | < 1/R > | .260425 | < 1/R**2 > | .112721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.250862 | .81237046 |
| 2 | 2p | 5.225361 | .20247496 |
| 3 | 2p | 10.753443 | .01168512 |
| 4 | 3p | 2.571906 | .00799393 |
| 5 | 4p | 3.765621 | -.00876896 |
| 6 | 4p | 10.774633 | .00214550 |
| 7 | 5p | 22.089990 | -.00029546 |
| 8 | 5p | 1.060953 | .00018954 |
| ORB.ENERGY,a.u. | -4.321100 | ||
| NORM | 1.000000 | < R > | .699923 | < R2 > | .600559 | < 1/R > | 1.834163 | < 1/R**2 > | 4.640463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.188168 | .35177973 |
| 2 | 2s | 3.942636 | -.84004669 |
| 3 | 3s | 3.657743 | -.27906775 |
| 4 | 4s | 11.748060 | .01365507 |
| 5 | 3s | 12.731901 | .00890080 |
| 6 | 5s | 3.562971 | -.01198146 |
| 7 | 5s | 23.956331 | .00064846 |
| 8 | 3s | 1.822957 | .00071508 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767558 | < R2 > | .694751 | < 1/R > | 1.885038 | < 1/R**2 > | 14.468881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709727 | .61341657 |
| 2 | 1s | 13.272102 | .30146443 |
| 3 | 1s | 5.800145 | .00698751 |
| 4 | 2s | 10.367636 | .13443490 |
| 5 | 3s | 10.773736 | -.04339168 |
| 6 | 4s | 18.420208 | .00289828 |
| 7 | 5s | 61.019313 | -.00003970 |
| 8 | 5s | 5.795256 | .00027772 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156991 | < R2 > | .033125 | < 1/R > | 9.641341 | < 1/R**2 > | 187.881463 |
Total Energy= -121.06271604 a.u.
Kinetic Energy= 121.05293542 a.u.
Potential Energy= -242.11565146 a.u.
Virial Ratio = -2.00008080