(1s 2 2s 2 2p 4 5d 1 ) 2 F Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | .773981 | 1.46838640 |
| 2 | 4d | .623218 | -5.00544238 |
| 3 | 5d | .604006 | 4.25170053 |
| 4 | 3d | 1.913002 | .04982321 |
| 5 | 5d | 2.861843 | -.01290578 |
| 6 | 4d | 5.470967 | .00557618 |
| 7 | 5d | 9.558706 | .00029511 |
| 8 | 3d | 7.489685 | .00135023 |
| ORB.ENERGY,a.u. | -.183780 | ||
| NORM | 1.000009 | < R > | 11.206649 | < R2 > | 142.915138 | < 1/R > | .126279 | < 1/R**2 > | .034679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.196572 | 1.35957461 |
| 2 | 3p | 3.874502 | -.42670217 |
| 3 | 2p | 8.744216 | .06040853 |
| 4 | 4p | 9.909474 | .02059734 |
| 5 | 5p | 23.785111 | .00044078 |
| 6 | 5p | 2.404764 | .02243476 |
| 7 | 4p | 38.534078 | .00010706 |
| 8 | 4p | 2.121730 | -.02471334 |
| ORB.ENERGY,a.u. | -3.418300 | ||
| NORM | 1.000000 | < R > | .689304 | < R2 > | .591845 | < 1/R > | 1.896176 | < 1/R**2 > | 5.054364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.073321 | .33499458 |
| 2 | 2s | 4.233634 | -.82972416 |
| 3 | 3s | 3.565051 | -.29483582 |
| 4 | 4s | 13.936841 | .01111872 |
| 5 | 3s | 15.638383 | .00441157 |
| 6 | 5s | 28.419671 | .00036727 |
| 7 | 5s | 2.521359 | -.00036667 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727590 | < R2 > | .629027 | < 1/R > | 1.992329 | < 1/R**2 > | 16.297796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124305 |
| 2 | 1s | 15.433706 | .08736570 |
| 3 | 2s | 5.656384 | .01836487 |
| 4 | 3s | 7.095533 | -.01929901 |
| 5 | 4s | 9.046895 | .00951050 |
| 6 | 5s | 26.235540 | .00114844 |
| 7 | 4s | 61.641230 | -.00004565 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617075 | < 1/R**2 > | 227.846584 |
Total Energy= -157.60898987 a.u.
Kinetic Energy= 157.60750751 a.u.
Potential Energy= -315.21649738 a.u.
Virial Ratio = -2.00000941