(1s 2 2s 2 2p 3 5d 1 ) 3 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | .989068 | 1.73175940 |
| 2 | 4d | .873842 | -4.34447723 |
| 3 | 5d | .787215 | 3.32452984 |
| 4 | 3d | 3.036792 | .03396762 |
| 5 | 4d | 10.942638 | .00057008 |
| 6 | 5d | .644420 | -.04759899 |
| 7 | 5d | 4.613167 | -.01193458 |
| 8 | 4d | 28.113030 | .00003530 |
| ORB.ENERGY,a.u. | -.324380 | ||
| NORM | 1.000000 | < R > | 8.480745 | < R2 > | 81.751744 | < 1/R > | .165340 | < 1/R**2 > | .057590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.764852 | 1.49720994 |
| 2 | 3p | 4.888774 | -.64343363 |
| 3 | 4p | 6.073731 | .13904608 |
| 4 | 5p | 18.495062 | -.00341337 |
| 5 | 4p | 2.524895 | .01560811 |
| 6 | 4p | 24.471867 | -.00154037 |
| 7 | 5p | 2.549346 | -.00652804 |
| 8 | 3p | 34.632172 | -.00012785 |
| ORB.ENERGY,a.u. | -4.887100 | ||
| NORM | 1.000000 | < R > | .644473 | < R2 > | .511214 | < 1/R > | 2.000865 | < 1/R**2 > | 5.547797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.014535 | .35010777 |
| 2 | 2s | 4.336783 | -.83702306 |
| 3 | 3s | 3.918301 | -.28142608 |
| 4 | 4s | 17.424513 | .00190521 |
| 5 | 3s | 11.156838 | .01799915 |
| 6 | 5s | 4.055685 | -.01326748 |
| 7 | 2s | 45.494377 | .00001519 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .703357 | < R2 > | .584767 | < 1/R > | 2.061185 | < 1/R**2 > | 17.368132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165668 | .90295999 |
| 2 | 1s | 15.521040 | .09697318 |
| 3 | 2s | 8.949830 | .01717671 |
| 4 | 3s | 12.697790 | -.01503480 |
| 5 | 4s | 20.248209 | .00391614 |
| 6 | 5s | 39.782498 | .00009152 |
| 7 | 5s | 7.518577 | .00088137 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142449 | < R2 > | .027280 | < 1/R > | 10.625554 | < 1/R**2 > | 228.123315 |
Total Energy= -154.18569736 a.u.
Kinetic Energy= 154.17968925 a.u.
Potential Energy= -308.36538661 a.u.
Virial Ratio = -2.00003897