(1s 2 2s 2 2p 2 4d 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 1.455177 | 1.29341383 |
| 2 | 4d | 1.263624 | -1.82179355 |
| 3 | 3d | 3.086627 | .07427541 |
| 4 | 5d | 4.658497 | -.01891284 |
| 5 | 4d | 9.794433 | .00138719 |
| 6 | 5d | 23.725304 | .00004278 |
| 7 | 3d | 16.542867 | .00013075 |
| ORB.ENERGY,a.u. | -.807930 | ||
| NORM | .999998 | < R > | 4.028552 | < R2 > | 18.628951 | < 1/R > | .332012 | < 1/R**2 > | .184498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.873556 | 1.22462879 |
| 2 | 3p | 4.751254 | -.24738216 |
| 3 | 2p | 10.705923 | .02029212 |
| 4 | 4p | 11.478520 | .00506774 |
| 5 | 5p | 23.111168 | -.00036134 |
| 6 | 5p | 3.051878 | .00188858 |
| 7 | 4p | 1.115029 | .00021312 |
| ORB.ENERGY,a.u. | -5.954800 | ||
| NORM | 1.000000 | < R > | .612956 | < R2 > | .459386 | < 1/R > | 2.087588 | < 1/R**2 > | 5.986781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.002440 | .36341979 |
| 2 | 2s | 4.425936 | -.82546303 |
| 3 | 3s | 4.496880 | -.26836681 |
| 4 | 4s | 17.521360 | .00279514 |
| 5 | 3s | 10.909251 | .01771521 |
| 6 | 5s | 4.484225 | -.04271475 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680141 | < R2 > | .544541 | < 1/R > | 2.134010 | < 1/R**2 > | 18.536736 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124549 | .89465208 |
| 2 | 1s | 15.420540 | .10586163 |
| 3 | 2s | 9.742184 | .01777881 |
| 4 | 3s | 11.837502 | -.01485133 |
| 5 | 5s | 26.584202 | .00133830 |
| 6 | 4s | 67.350135 | -.00003355 |
| 7 | 5s | 8.622056 | .00101074 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027153 | < 1/R > | 10.637955 | < 1/R**2 > | 228.531357 |
Total Energy= -149.58296640 a.u.
Kinetic Energy= 149.57851972 a.u.
Potential Energy= -299.16148612 a.u.
Virial Ratio = -2.00002973