(1s 2 2s 2 2p 2 4d 1 ) 2 F Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 1.412683 | 1.41638162 |
| 2 | 4d | 1.254788 | -1.92825642 |
| 3 | 3d | 3.245136 | .05224558 |
| 4 | 4d | 9.867275 | .00143366 |
| 5 | 5d | 4.851668 | -.01593336 |
| 6 | 5d | 23.995286 | .00004945 |
| 7 | 3d | 17.621509 | .00010328 |
| ORB.ENERGY,a.u. | -.797130 | ||
| NORM | 1.000001 | < R > | 4.089057 | < R2 > | 19.182871 | < 1/R > | .326178 | < 1/R**2 > | .176740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.874159 | 1.22039664 |
| 2 | 3p | 4.741077 | -.24395238 |
| 3 | 2p | 10.638053 | .02101015 |
| 4 | 4p | 11.407720 | .00530270 |
| 5 | 5p | 23.162809 | -.00035608 |
| 6 | 5p | 3.096047 | .00198682 |
| 7 | 4p | 1.044766 | .00014911 |
| ORB.ENERGY,a.u. | -5.944000 | ||
| NORM | 1.000000 | < R > | .612519 | < R2 > | .458685 | < 1/R > | 2.088815 | < 1/R**2 > | 5.992970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.003196 | .36339073 |
| 2 | 2s | 4.425291 | -.82543658 |
| 3 | 3s | 4.498109 | -.26839555 |
| 4 | 4s | 17.535826 | .00280534 |
| 5 | 3s | 10.903118 | .01768647 |
| 6 | 5s | 4.482059 | -.04261802 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680109 | < R2 > | .544486 | < 1/R > | 2.134106 | < 1/R**2 > | 18.538361 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126608 | .89440465 |
| 2 | 1s | 15.409724 | .10595685 |
| 3 | 2s | 9.683608 | .01798354 |
| 4 | 3s | 11.813932 | -.01486806 |
| 5 | 5s | 26.558243 | .00135774 |
| 6 | 4s | 68.184023 | -.00003314 |
| 7 | 5s | 8.577643 | .00097620 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142182 | < R2 > | .027153 | < 1/R > | 10.637906 | < 1/R**2 > | 228.529714 |
Total Energy= -149.58222967 a.u.
Kinetic Energy= 149.56771723 a.u.
Potential Energy= -299.14994690 a.u.
Virial Ratio = -2.00009703