(1s 2 2s 1 4d 1 ) 3 D Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 1.989781 | 1.39896375 |
| 2 | 4d | 1.752645 | -1.90614309 |
| 3 | 5d | 5.298249 | .00865815 |
| 4 | 3d | 5.074143 | .01792163 |
| 5 | 4d | 11.307471 | -.00089458 |
| 6 | 5d | 20.036199 | .00007368 |
| ORB.ENERGY,a.u. | -1.560500 | ||
| NORM | 1.000000 | < R > | 2.935870 | < R2 > | 9.858878 | < 1/R > | .449421 | < 1/R**2 > | .328272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 3s | 4.809818 | -.25303291 |
| 2 | 4s | 12.026312 | .02393934 |
| 3 | 3s | 12.969951 | .00798539 |
| 4 | 5s | 8.466335 | -.01214982 |
| 5 | 5s | 14.731154 | -.00627042 |
| 6 | 3s | 1.298357 | .00018009 |
| 7 | 1s | 8.162526 | .39931544 |
| 8 | 2s | 4.105061 | -.86851374 |
| ORB.ENERGY,a.u. | -8.341000 | ||
| NORM | 1.000000 | < R > | .689806 | < R2 > | .555006 | < 1/R > | 2.117187 | < 1/R**2 > | 18.096049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.170721 | .87444252 |
| 2 | 1s | 13.499622 | .12615167 |
| 3 | 2s | 6.623970 | .02720707 |
| 4 | 3s | 8.273903 | -.02869573 |
| 5 | 4s | 20.448558 | .00297145 |
| 6 | 5s | 10.686612 | .00243443 |
| 7 | 5s | 28.263288 | -.00039236 |
| 8 | 3s | 23.404134 | -.00047428 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156127 | < R2 > | .032689 | < 1/R > | 9.676529 | < 1/R**2 > | 188.963063 |
Total Energy= -104.25097708 a.u.
Kinetic Energy= 104.19145072 a.u.
Potential Energy= -208.44242780 a.u.
Virial Ratio = -2.00057132