(1s 2 2s 2 2p 4 3d 1 ) 2 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 1.040356 | 1.00009059 |
| 2 | 3d | 4.587793 | .00710768 |
| 3 | 4d | 1.567863 | -.03095710 |
| 4 | 5d | 9.785751 | -.00019414 |
| 5 | 5d | 1.057172 | .03544323 |
| ORB.ENERGY,a.u. | -.507470 | ||
| NORM | 1.000000 | < R > | 3.430905 | < R2 > | 13.490112 | < 1/R > | .341799 | < 1/R**2 > | .141719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.243156 | 1.33389786 |
| 2 | 4p | 72.505985 | .00000577 |
| 3 | 4p | 2.066451 | -.01296853 |
| 4 | 3p | 3.958463 | -.39943455 |
| 5 | 2p | 8.616959 | .06057171 |
| 6 | 4p | 9.746998 | .01710592 |
| 7 | 5p | 47.958403 | .00002579 |
| 8 | 5p | 2.483543 | .01438330 |
| ORB.ENERGY,a.u. | -3.134600 | ||
| NORM | 1.000000 | < R > | .689017 | < R2 > | .591146 | < 1/R > | 1.896571 | < 1/R**2 > | 5.055881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.072240 | .33493343 |
| 2 | 2s | 4.234139 | -.82967210 |
| 3 | 3s | 3.562397 | -.29490397 |
| 4 | 4s | 13.882961 | .01100184 |
| 5 | 3s | 15.448088 | .00462018 |
| 6 | 5s | 28.445723 | .00036548 |
| 7 | 5s | 2.539526 | -.00098626 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727971 | < R2 > | .629850 | < 1/R > | 1.991538 | < 1/R**2 > | 16.286691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124286 |
| 2 | 1s | 15.433518 | .08736675 |
| 3 | 2s | 5.655610 | .01836696 |
| 4 | 3s | 7.094764 | -.01930111 |
| 5 | 4s | 9.046369 | .00951176 |
| 6 | 5s | 26.225544 | .00114756 |
| 7 | 4s | 61.632004 | -.00004611 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617063 | < 1/R**2 > | 227.846189 |
Total Energy= -157.93936355 a.u.
Kinetic Energy= 157.93121882 a.u.
Potential Energy= -315.87058237 a.u.
Virial Ratio = -2.00005157