(1s 2 2s 2 2p 4 5d 1 ) 2 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | .736775 | 1.76305806 |
| 2 | 4d | .621723 | -5.40284436 |
| 3 | 5d | .599637 | 4.36381105 |
| 4 | 3d | 1.937790 | .01402092 |
| 5 | 5d | 3.227137 | -.00257178 |
| 6 | 4d | 5.590060 | .00259426 |
| 7 | 5d | 9.532643 | .00020461 |
| 8 | 3d | 7.807960 | .00068783 |
| ORB.ENERGY,a.u. | -.181760 | ||
| NORM | .999994 | < R > | 11.372985 | < R2 > | 146.847710 | < 1/R > | .122293 | < 1/R**2 > | .030803 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.201770 | 1.35797854 |
| 2 | 3p | 3.884908 | -.42398730 |
| 3 | 2p | 8.751526 | .05999333 |
| 4 | 4p | 9.923479 | .02032168 |
| 5 | 5p | 24.022448 | .00041360 |
| 6 | 5p | 2.537755 | .01768141 |
| 7 | 4p | 38.913211 | .00010150 |
| 8 | 4p | 2.295203 | -.02060346 |
| ORB.ENERGY,a.u. | -3.416200 | ||
| NORM | 1.000000 | < R > | .689054 | < R2 > | .591302 | < 1/R > | 1.896584 | < 1/R**2 > | 5.056019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.065195 | .33544411 |
| 2 | 2s | 4.237060 | -.82995511 |
| 3 | 3s | 3.564155 | -.29550309 |
| 4 | 4s | 19.712442 | .00561616 |
| 5 | 3s | 21.566693 | .00122188 |
| 6 | 5s | 16.796303 | .00650423 |
| 7 | 5s | 13.678157 | .00356881 |
| 8 | 4s | 1.843988 | -.00024376 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727570 | < R2 > | .628981 | < 1/R > | 1.992362 | < 1/R**2 > | 16.298200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124195 |
| 2 | 1s | 15.433518 | .08736666 |
| 3 | 2s | 5.655484 | .01836897 |
| 4 | 3s | 7.094317 | -.01930225 |
| 5 | 4s | 9.046047 | .00951217 |
| 6 | 5s | 26.226560 | .00114752 |
| 7 | 4s | 61.631125 | -.00004612 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617052 | < 1/R**2 > | 227.845818 |
Total Energy= -157.60843588 a.u.
Kinetic Energy= 157.60549140 a.u.
Potential Energy= -315.21392729 a.u.
Virial Ratio = -2.00001868