(1s 2 2s 2 2p 5 5s 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 9.719658 | .02488922 |
| 2 | 2s | 3.146194 | -.09698989 |
| 3 | 3s | 1.172531 | .52278795 |
| 4 | 4s | .659940 | -1.65861101 |
| 5 | 5s | .528908 | 1.81753417 |
| 6 | 5s | 8.972132 | -.00832002 |
| 7 | 4s | 11.530032 | -.00507713 |
| 8 | 5s | 30.501413 | -.00013409 |
| 9 | 4s | 44.963053 | -.00003530 |
| 10 | 3s | .308855 | .03358001 |
| ORB.ENERGY,a.u. | -.125920 | ||
| NORM | 1.000000 | < R > | 11.957103 | < R2 > | 160.366664 | < 1/R > | .116063 | < 1/R**2 > | .124567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.841382 | 1.40773760 |
| 2 | 3p | 3.447518 | -.51256815 |
| 3 | 2p | 7.777901 | .09976075 |
| 4 | 4p | 8.826464 | .02767857 |
| 5 | 5p | 2.134582 | .02826405 |
| 6 | 4p | 1.879503 | -.03074363 |
| 7 | 5p | 25.976920 | -.00029082 |
| 8 | 4p | 17.128415 | .00062468 |
| ORB.ENERGY,a.u. | -2.448000 | ||
| NORM | 1.000000 | < R > | .738838 | < R2 > | .689649 | < 1/R > | 1.796544 | < 1/R**2 > | 4.608347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.188965 | .27222490 |
| 2 | 2s | 3.157116 | -.71193024 |
| 3 | 3s | 6.236213 | -.26784575 |
| 4 | 4s | 4.892731 | -.06730296 |
| 5 | 5s | 12.906459 | -.01021684 |
| 6 | 5s | .924633 | .00141874 |
| 7 | 4s | 2.723002 | -.00914338 |
| 8 | 3s | .334083 | -.00160172 |
| 9 | 2s | 15.558471 | .00020619 |
| 10 | 3s | 34.429700 | -.00007150 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753066 | < R2 > | .678344 | < 1/R > | 1.926990 | < 1/R**2 > | 15.316104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337036 |
| 2 | 1s | 15.492794 | .08642430 |
| 3 | 2s | 5.342533 | .01504719 |
| 4 | 3s | 7.014007 | -.01794138 |
| 5 | 4s | 9.117715 | .01104345 |
| 6 | 5s | 25.947792 | .00105043 |
| 7 | 4s | 58.314326 | -.00005669 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611098 | < 1/R**2 > | 227.652930 |
Total Energy= -160.12282796 a.u.
Kinetic Energy= 160.12324322 a.u.
Potential Energy= -320.24607118 a.u.
Virial Ratio = -1.99999741