(1s 2 2s 2 2p 2 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 3.307629 | .85268800 |
| 2 | 2p | 5.323986 | .18463197 |
| 3 | 2p | 11.299641 | .00771914 |
| 4 | 3p | 5.033884 | -.03318070 |
| 5 | 4p | 3.112450 | .01889381 |
| 6 | 4p | 18.535040 | -.00057489 |
| 7 | 5p | 1.747755 | -.00010645 |
| ORB.ENERGY,a.u. | -4.486600 | ||
| NORM | 1.000000 | < R > | .706395 | < R2 > | .613006 | < 1/R > | 1.822055 | < 1/R**2 > | 4.592250 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.844723 | .31387281 |
| 2 | 2s | 3.438393 | -.75376084 |
| 3 | 3s | 5.170926 | -.26215435 |
| 4 | 4s | 18.853296 | .00127415 |
| 5 | 5s | 10.800548 | -.01386118 |
| 6 | 5s | 4.590788 | -.05134212 |
| 7 | 3s | 7.878125 | .01212941 |
| 8 | 5s | 3.477795 | -.00631365 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .766215 | < R2 > | .692072 | < 1/R > | 1.888235 | < 1/R**2 > | 14.514411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269028 | .89113703 |
| 2 | 1s | 13.740234 | .10392329 |
| 3 | 1s | 2.510359 | .00043953 |
| 4 | 2s | 7.189093 | .01696221 |
| 5 | 3s | 9.964229 | -.00783875 |
| 6 | 4s | 17.753922 | .00337687 |
| 7 | 5s | 8.985898 | -.00064924 |
| 8 | 5s | 29.633635 | .00035481 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156981 | < R2 > | .033120 | < 1/R > | 9.641750 | < 1/R**2 > | 187.893585 |
Total Energy= -120.54270768 a.u.
Kinetic Energy= 120.39708416 a.u.
Potential Energy= -240.93979184 a.u.
Virial Ratio = -2.00120953