(1s 2 2s 2 2p 2 5p 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 2.557958 | .23977129 |
| 2 | 3p | 1.293579 | -2.55453407 |
| 3 | 4p | 1.141232 | 5.85868003 |
| 4 | 5p | 1.066320 | -4.06854913 |
| 5 | 2p | 6.460722 | .03443483 |
| 6 | 5p | 21.404029 | -.00041177 |
| 7 | 4p | 31.774162 | -.00009286 |
| 8 | 5p | .902027 | -.09345831 |
| ORB.ENERGY,a.u. | -.555070 | ||
| NORM | .999993 | < R > | 6.576152 | < R2 > | 48.589753 | < 1/R > | .210585 | < 1/R**2 > | .137148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.044179 | 1.33481869 |
| 2 | 3p | 5.313517 | -.44207773 |
| 3 | 4p | 6.680853 | .09004956 |
| 4 | 5p | 1.341475 | .09397510 |
| 5 | 4p | .998573 | -.09520476 |
| 6 | 5p | 19.661825 | -.00116583 |
| 7 | 3p | 15.522354 | -.00234734 |
| 8 | 3p | 3.620156 | .01952938 |
| 9 | 4p | 53.968733 | .00002179 |
| ORB.ENERGY,a.u. | -6.084100 | ||
| NORM | 1.000000 | < R > | .611899 | < R2 > | .466880 | < 1/R > | 2.093144 | < 1/R**2 > | 6.013221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.007543 | .36328250 |
| 2 | 2s | 4.421076 | -.82565291 |
| 3 | 3s | 4.505879 | -.26826059 |
| 4 | 4s | 17.609121 | .00286309 |
| 5 | 3s | 10.864122 | .01756323 |
| 6 | 5s | 4.491925 | -.04173357 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679728 | < R2 > | .543757 | < 1/R > | 2.135086 | < 1/R**2 > | 18.553540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126158 | .89432010 |
| 2 | 1s | 15.405045 | .10606017 |
| 3 | 2s | 9.643085 | .01801074 |
| 4 | 3s | 11.787935 | -.01488643 |
| 5 | 5s | 26.563072 | .00133982 |
| 6 | 4s | 67.462142 | -.00003379 |
| 7 | 5s | 8.631750 | .00097088 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142190 | < R2 > | .027157 | < 1/R > | 10.637464 | < 1/R**2 > | 228.514738 |
Total Energy= -149.33505481 a.u.
Kinetic Energy= 149.32553760 a.u.
Potential Energy= -298.66059242 a.u.
Virial Ratio = -2.00006373