(1s 2 2s 2 2p 2 3d 1 ) 4 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 1.759713 | 1.14803123 |
| 2 | 3d | 4.364535 | .05257855 |
| 3 | 4d | 2.116512 | -.17795273 |
| 4 | 5d | 25.455175 | .00004111 |
| 5 | 4d | 15.291343 | -.00012480 |
| 6 | 3d | 19.374433 | .00002484 |
| ORB.ENERGY,a.u. | -1.461100 | ||
| NORM | 1.000000 | < R > | 1.914414 | < R2 > | 4.255524 | < 1/R > | .624015 | < 1/R**2 > | .484063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.658612 | 1.31232370 |
| 2 | 3p | 4.310454 | -.34870039 |
| 3 | 2p | 9.766797 | .03338653 |
| 4 | 4p | 10.591570 | .00943002 |
| 5 | 5p | 23.450151 | -.00029913 |
| 6 | 5p | 2.901316 | .03008988 |
| 7 | 4p | 2.653190 | -.03679471 |
| ORB.ENERGY,a.u. | -5.658500 | ||
| NORM | 1.000000 | < R > | .617345 | < R2 > | .467398 | < 1/R > | 2.077754 | < 1/R**2 > | 5.941450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.975544 | .36434588 |
| 2 | 2s | 4.438773 | -.82867685 |
| 3 | 3s | 4.437785 | -.26983613 |
| 4 | 4s | 17.659247 | .00277603 |
| 5 | 3s | 10.766939 | .01884902 |
| 6 | 5s | 4.402360 | -.04128950 |
| 7 | 5s | 2.829219 | -.00073135 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .681785 | < R2 > | .547669 | < 1/R > | 2.129658 | < 1/R**2 > | 18.469409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.127092 | .89438663 |
| 2 | 1s | 15.408674 | .10596357 |
| 3 | 2s | 9.693776 | .01797497 |
| 4 | 3s | 11.816185 | -.01486539 |
| 5 | 5s | 26.549591 | .00136809 |
| 6 | 4s | 68.586625 | -.00003285 |
| 7 | 5s | 8.537023 | .00097376 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142174 | < R2 > | .027150 | < 1/R > | 10.638314 | < 1/R**2 > | 228.543631 |
Total Energy= -150.22375176 a.u.
Kinetic Energy= 150.23177562 a.u.
Potential Energy= -300.45552738 a.u.
Virial Ratio = -1.99994659