(1s 2 2s 2 2p 4 5p 1 ) 4 D S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 4.522214 | .22847505 |
| 2 | 3p | 2.098732 | -2.46696830 |
| 3 | 4p | 1.926346 | 4.90187997 |
| 4 | 5p | 1.687809 | -3.21805349 |
| 5 | 2p | 9.415158 | .04806867 |
| 6 | 5p | 15.048624 | .00230700 |
| 7 | 4p | 34.886535 | -.00013658 |
| ORB.ENERGY,a.u. | -1.442400 | ||
| NORM | .999999 | < R > | 4.050464 | < R2 > | 18.446142 | < 1/R > | .355553 | < 1/R**2 > | .463873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.572790 | 1.14848609 |
| 2 | 3p | 6.347842 | -.22592691 |
| 3 | 2p | 12.094336 | .07430176 |
| 4 | 4p | 14.231042 | .01268683 |
| 5 | 5p | 39.512865 | -.00012962 |
| 6 | 5p | 1.068911 | .00013364 |
| 7 | 4p | 4.662907 | -.00155899 |
| ORB.ENERGY,a.u. | -13.520000 | ||
| NORM | 1.000000 | < R > | .404772 | < R2 > | .200645 | < 1/R > | 3.165765 | < 1/R**2 > | 13.773708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.766124 | .39633522 |
| 2 | 2s | 6.774552 | -.85187072 |
| 3 | 3s | 6.218265 | -.29968458 |
| 4 | 4s | 17.400439 | .00846849 |
| 5 | 3s | 20.335326 | .00673029 |
| 6 | 5s | 33.289093 | .00070835 |
| 7 | 5s | 5.350598 | -.00248418 |
| 8 | 4s | 3.455803 | .00051178 |
| 9 | 2s | 81.520920 | .00000930 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452544 | < R2 > | .241078 | < 1/R > | 3.232671 | < 1/R**2 > | 42.704394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164717 | .91812348 |
| 2 | 1s | 22.002081 | .07854966 |
| 3 | 2s | 9.687424 | .01988039 |
| 4 | 3s | 11.847480 | -.01989798 |
| 5 | 4s | 14.408186 | .00897969 |
| 6 | 5s | 38.941279 | .00077079 |
| 7 | 3s | 60.871062 | -.00006323 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096887 | < R2 > | .012601 | < 1/R > | 15.593033 | < 1/R**2 > | 490.096993 |
Total Energy= -366.69885914 a.u.
Kinetic Energy= 366.70344421 a.u.
Potential Energy= -733.40230335 a.u.
Virial Ratio = -1.99998750