(1s 2 2s 2 2p 2 4p 1 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 6.896344 | .23415141 |
| 2 | 3p | 2.120280 | -.54438249 |
| 3 | 5p | 2.573623 | 1.50075299 |
| 4 | 4p | 3.799708 | -.68040922 |
| 5 | 5p | 8.551144 | .03446992 |
| 6 | 4p | 19.190272 | -.00251557 |
| 7 | 5p | 2.213426 | .14552862 |
| 8 | 4p | 62.437598 | -.00007428 |
| 9 | 5p | 40.931158 | -.00035580 |
| ORB.ENERGY,a.u. | -2.781700 | ||
| NORM | 1.000000 | < R > | 2.330177 | < R2 > | 6.133212 | < 1/R > | .591320 | < 1/R**2 > | .916891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.069747 | 1.21545036 |
| 2 | 3p | 8.227893 | -.27421870 |
| 3 | 4p | 10.616967 | .05660989 |
| 4 | 5p | 2.577692 | .05270110 |
| 5 | 4p | 2.387736 | -.03823605 |
| 6 | 5p | 19.966822 | .00257454 |
| 7 | 3p | 41.442260 | .00000631 |
| ORB.ENERGY,a.u. | -14.983000 | ||
| NORM | 1.000000 | < R > | .408181 | < R2 > | .203534 | < 1/R > | 3.109656 | < 1/R**2 > | 13.136960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.911173 | .41207178 |
| 2 | 2s | 6.460295 | -.85442835 |
| 3 | 3s | 6.647063 | -.28033127 |
| 4 | 4s | 25.348457 | .00217878 |
| 5 | 3s | 13.824266 | .01860882 |
| 6 | 5s | 6.675796 | -.03035697 |
| 7 | 4s | 1.993416 | .00015434 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467525 | < R2 > | .256316 | < 1/R > | 3.131619 | < 1/R**2 > | 39.825046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.108794 | .92172275 |
| 2 | 1s | 21.591313 | .07719352 |
| 3 | 2s | 13.428921 | .01934136 |
| 4 | 3s | 16.739790 | -.01553438 |
| 5 | 5s | 35.637484 | .00099021 |
| 6 | 4s | 86.739485 | -.00003209 |
| 7 | 5s | 11.763621 | .00050680 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103199 | < R2 > | .014280 | < 1/R > | 14.627120 | < 1/R**2 > | 431.040054 |
Total Energy= -294.49738102 a.u.
Kinetic Energy= 294.47510298 a.u.
Potential Energy= -588.97248400 a.u.
Virial Ratio = -2.00007565