(1s 2 2s 1 5s 1 ) 3 S Ne 6+
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 | 7.328279 | .10036538 |
| 2 | 2s | 1.328157 | -4.34684415 |
| 3 | 3s | 1.844373 | 6.69292300 |
| 4 | 4s | 1.533724 | -6.50705816 |
| 5 | 5s | 1.448989 | 5.09027030 |
| 6 | 5s | 6.925187 | -.01526236 |
| 7 | 4s | 14.258899 | .00310672 |
| 8 | 2s | 23.771898 | -.00014378 |
| ORB.ENERGY,a.u. | -1.060800 | ||
| NORM | 1.000000 | < R > | 4.961383 | < R2 > | 27.542584 | < 1/R > | .293426 | < 1/R**2 > | .842954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.108070 | .40485275 |
| 2 | 2s | 4.144998 | -.87631333 |
| 3 | 3s | 4.861553 | -.25779518 |
| 4 | 4s | 11.738987 | .02585591 |
| 5 | 5s | 8.655247 | -.00381855 |
| 6 | 4s | 18.373630 | .00616258 |
| 7 | 3s | 23.182227 | .00123761 |
| 8 | 3s | 3.428251 | -.00592421 |
| ORB.ENERGY,a.u. | -8.516900 | ||
| NORM | 1.000000 | < R > | .688011 | < R2 > | .552093 | < 1/R > | 2.124155 | < 1/R**2 > | 18.219296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.169438 | .87371855 |
| 2 | 1s | 13.549372 | .12592495 |
| 3 | 2s | 7.048822 | .02795443 |
| 4 | 3s | 8.556843 | -.02776590 |
| 5 | 4s | 20.375141 | .00244395 |
| 6 | 5s | 10.073412 | .00192732 |
| 7 | 3s | 19.927307 | -.00064675 |
| 8 | 5s | 18.240579 | .00023018 |
| 9 | 4s | 2.551172 | .00009635 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156142 | < R2 > | .032697 | < 1/R > | 9.675875 | < 1/R**2 > | 188.942338 |
Total Energy= -103.68735550 a.u.
Kinetic Energy= 103.69117045 a.u.
Potential Energy= -207.37852595 a.u.
Virial Ratio = -1.99996321