(1s 2 2s 2 2p 2 4d 1 ) 2 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.369861 | 1.54297140 |
| 2 | 4d | 1.238193 | -2.04625758 |
| 3 | 3d | 4.119293 | .02564372 |
| 4 | 5d | 5.667529 | -.00819083 |
| 5 | 5d | 12.856098 | .00007242 |
| 6 | 5d | 1.118730 | .01114883 |
| 7 | 3d | 12.724921 | .00013727 |
| ORB.ENERGY,a.u. | -.783660 | ||
| NORM | 1.000000 | < R > | 4.164822 | < R2 > | 19.891016 | < 1/R > | .319320 | < 1/R**2 > | .167991 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.875635 | 1.21847821 |
| 2 | 3p | 4.735226 | -.24227697 |
| 3 | 2p | 10.618491 | .02127071 |
| 4 | 4p | 11.417179 | .00535579 |
| 5 | 5p | 23.111675 | -.00036125 |
| 6 | 5p | 3.099185 | .00191331 |
| 7 | 4p | 1.043372 | .00015364 |
| ORB.ENERGY,a.u. | -5.930500 | ||
| NORM | 1.000000 | < R > | .612042 | < R2 > | .457914 | < 1/R > | 2.090144 | < 1/R**2 > | 5.999680 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.004586 | .36332584 |
| 2 | 2s | 4.424018 | -.82543723 |
| 3 | 3s | 4.499611 | -.26834748 |
| 4 | 4s | 17.539071 | .00282478 |
| 5 | 3s | 10.903248 | .01759835 |
| 6 | 5s | 4.479057 | -.04245984 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680072 | < R2 > | .544420 | < 1/R > | 2.134219 | < 1/R**2 > | 18.540238 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126603 | .89441189 |
| 2 | 1s | 15.409676 | .10595123 |
| 3 | 2s | 9.680406 | .01798476 |
| 4 | 3s | 11.813346 | -.01486841 |
| 5 | 5s | 26.556947 | .00135744 |
| 6 | 4s | 68.174957 | -.00003316 |
| 7 | 5s | 8.580045 | .00097526 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142183 | < R2 > | .027154 | < 1/R > | 10.637854 | < 1/R**2 > | 228.527934 |
Total Energy= -149.58064925 a.u.
Kinetic Energy= 149.55423430 a.u.
Potential Energy= -299.13488354 a.u.
Virial Ratio = -2.00017662