(1s 2 2s 1 4d 1 ) 1 D Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.775645 | 2.01724296 |
| 2 | 4d | 1.751761 | -2.53204910 |
| 3 | 5d | 9.751568 | .00128884 |
| 4 | 3d | 6.409298 | .00589842 |
| 5 | 5d | 1.577624 | -.00298417 |
| 6 | 4d | 25.710382 | .00002419 |
| ORB.ENERGY,a.u. | -1.532600 | ||
| NORM | .999999 | < R > | 2.989601 | < R2 > | 10.234768 | < 1/R > | .441886 | < 1/R**2 > | .316179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.130560 | .40253358 |
| 2 | 2s | 4.130405 | -.87178974 |
| 3 | 3s | 4.830561 | -.25553472 |
| 4 | 4s | 12.224693 | .02660299 |
| 5 | 3s | 13.666349 | .00707305 |
| 6 | 5s | 8.195756 | -.00872482 |
| 7 | 5s | 3.843764 | -.00327767 |
| 8 | 5s | 15.207491 | -.00559127 |
| ORB.ENERGY,a.u. | -8.313200 | ||
| NORM | 1.000000 | < R > | .689115 | < R2 > | .554075 | < 1/R > | 2.120795 | < 1/R**2 > | 18.165786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.193163 | .87399128 |
| 2 | 1s | 13.445269 | .12535095 |
| 3 | 2s | 6.391647 | .02671267 |
| 4 | 3s | 8.063636 | -.02964425 |
| 5 | 4s | 18.290120 | .00381041 |
| 6 | 5s | 10.844209 | .00416948 |
| 7 | 5s | 69.983016 | -.00001673 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156135 | < R2 > | .032694 | < 1/R > | 9.676227 | < 1/R**2 > | 188.954293 |
Total Energy= -104.24888199 a.u.
Kinetic Energy= 104.16355651 a.u.
Potential Energy= -208.41243850 a.u.
Virial Ratio = -2.00081915