(1s 2 2s 2 2p 3 4d 1 ) 3 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 1.129426 | 1.42720232 |
| 2 | 4d | .999631 | -1.92756137 |
| 3 | 3d | 4.659821 | .01511116 |
| 4 | 4d | 3.032804 | .01693860 |
| 5 | 5d | 12.226030 | -.00012823 |
| ORB.ENERGY,a.u. | -.507770 | ||
| NORM | 1.000000 | < R > | 5.137224 | < R2 > | 30.276697 | < 1/R > | .259649 | < 1/R**2 > | .112186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.766902 | 1.49520476 |
| 2 | 3p | 4.883636 | -.64288511 |
| 3 | 4p | 6.051891 | .13974322 |
| 4 | 5p | 18.426914 | -.00357106 |
| 5 | 4p | 2.628590 | .01696614 |
| 6 | 4p | 24.654114 | -.00157433 |
| 7 | 5p | 2.665430 | -.00652310 |
| 8 | 3p | 36.015119 | -.00011685 |
| ORB.ENERGY,a.u. | -4.768300 | ||
| NORM | 1.000000 | < R > | .644561 | < R2 > | .511397 | < 1/R > | 2.000723 | < 1/R**2 > | 5.547248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.016344 | .34988739 |
| 2 | 2s | 4.336638 | -.83574743 |
| 3 | 3s | 3.930705 | -.28070283 |
| 4 | 4s | 17.397631 | .00196372 |
| 5 | 3s | 11.154844 | .01779951 |
| 6 | 5s | 4.048187 | -.01553477 |
| 7 | 2s | 46.645816 | .00001350 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .703646 | < R2 > | .585335 | < 1/R > | 2.060471 | < 1/R**2 > | 17.357439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165668 | .90296005 |
| 2 | 1s | 15.521229 | .09697200 |
| 3 | 2s | 8.951600 | .01717630 |
| 4 | 3s | 12.698454 | -.01503445 |
| 5 | 4s | 20.248395 | .00391592 |
| 6 | 5s | 39.808041 | .00009150 |
| 7 | 5s | 7.519968 | .00088329 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142448 | < R2 > | .027280 | < 1/R > | 10.625564 | < 1/R**2 > | 228.123701 |
Total Energy= -154.37410940 a.u.
Kinetic Energy= 154.36308464 a.u.
Potential Energy= -308.73719404 a.u.
Virial Ratio = -2.00007142