(1s 2 2s 2 2p 5 4d 1 ) 1 D Na +
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 | .548188 | 1.55528679 |
| 2 | 4d | .497841 | -2.05015619 |
| 3 | 3d | 3.063163 | .01453742 |
| 4 | 5d | 4.991034 | -.00216152 |
| 5 | 4d | 1.795105 | .01038313 |
| 6 | 4d | 17.116344 | .00002716 |
| ORB.ENERGY,a.u. | -.125710 | ||
| NORM | 1.000000 | < R > | 10.386762 | < R2 > | 123.716225 | < 1/R > | .128270 | < 1/R**2 > | .027437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.843079 | 1.40724562 |
| 2 | 3p | 3.452185 | -.51143581 |
| 3 | 2p | 7.768982 | .09996929 |
| 4 | 4p | 8.805890 | .02744513 |
| 5 | 5p | 2.161905 | .02935383 |
| 6 | 4p | 1.920286 | -.03236187 |
| 7 | 5p | 25.877113 | -.00027561 |
| 8 | 4p | 16.633636 | .00060096 |
| ORB.ENERGY,a.u. | -2.403200 | ||
| NORM | 1.000000 | < R > | .738624 | < R2 > | .689230 | < 1/R > | 1.796963 | < 1/R**2 > | 4.610221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.129261 | .32098953 |
| 2 | 2s | 4.175457 | -.80925641 |
| 3 | 3s | 3.327775 | -.32041679 |
| 4 | 4s | 14.695259 | .01188571 |
| 5 | 3s | 20.277050 | .00194406 |
| 6 | 5s | 27.373150 | .00056351 |
| 7 | 5s | 2.348356 | -.00530321 |
| 8 | 4s | 2.574461 | .00716183 |
| 9 | 3s | 1.436559 | .00178910 |
| 10 | 2s | 68.506323 | .00000394 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752984 | < R2 > | .677973 | < 1/R > | 1.927099 | < 1/R**2 > | 15.317420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336872 |
| 2 | 1s | 15.492714 | .08642567 |
| 3 | 2s | 5.345989 | .01503967 |
| 4 | 3s | 7.014799 | -.01793793 |
| 5 | 4s | 9.114154 | .01105060 |
| 6 | 5s | 25.923341 | .00104937 |
| 7 | 4s | 58.327348 | -.00005723 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611090 | < 1/R**2 > | 227.652770 |
Total Energy= -160.12498871 a.u.
Kinetic Energy= 160.12310855 a.u.
Potential Energy= -320.24809726 a.u.
Virial Ratio = -2.00001174