(1s 2 2s 2 2p 1 4d 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 1.474640 | 1.34111643 |
| 2 | 4d | 1.256830 | -1.79641110 |
| 3 | 3d | 4.219704 | .03165469 |
| 4 | 5d | 2.386763 | -.04840317 |
| 5 | 4d | 9.988426 | -.00039126 |
| 6 | 5d | 33.986494 | .00000746 |
| ORB.ENERGY,a.u. | -.803150 | ||
| NORM | 1.000002 | < R > | 4.046351 | < R2 > | 18.801493 | < 1/R > | .331156 | < 1/R**2 > | .184120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.628059 | .75622443 |
| 2 | 2p | 4.869837 | .24390363 |
| 3 | 2p | 12.091401 | .00604957 |
| 4 | 3p | 5.889030 | -.03365079 |
| 5 | 4p | 4.041671 | .04793618 |
| 6 | 4p | 17.011646 | -.00069593 |
| 7 | 5p | 2.313100 | -.00401192 |
| 8 | 3p | 2.005759 | .00815013 |
| ORB.ENERGY,a.u. | -5.448900 | ||
| NORM | 1.000000 | < R > | .663547 | < R2 > | .536293 | < 1/R > | 1.920182 | < 1/R**2 > | 5.041798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.898814 | .32299199 |
| 2 | 2s | 3.352496 | -.79334433 |
| 3 | 3s | 5.263686 | -.27114863 |
| 4 | 4s | 18.232334 | .00227848 |
| 5 | 5s | 10.322292 | -.01540190 |
| 6 | 5s | 3.781229 | .02232934 |
| 7 | 4s | 38.371452 | .00003764 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739565 | < R2 > | .642225 | < 1/R > | 1.959515 | < 1/R**2 > | 15.561474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269894 | .89199446 |
| 2 | 1s | 13.726722 | .10429264 |
| 3 | 1s | 2.376694 | .00013042 |
| 4 | 2s | 7.552816 | .01480762 |
| 5 | 3s | 9.824435 | -.00792589 |
| 6 | 4s | 18.056892 | .00342690 |
| 7 | 5s | 9.741679 | -.00038095 |
| 8 | 5s | 29.600413 | .00030935 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156625 | < R2 > | .032935 | < 1/R > | 9.655396 | < 1/R**2 > | 188.301918 |
Total Energy= -116.72095099 a.u.
Kinetic Energy= 116.71400390 a.u.
Potential Energy= -233.43495488 a.u.
Virial Ratio = -2.00005952