(1s 2 2s 2 2p 5 3d 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | .730162 | .89080393 |
| 2 | 3d | 2.333975 | .05604078 |
| 3 | 4d | 2.931573 | -.02716643 |
| 4 | 5d | .757078 | .11918540 |
| 5 | 5d | 11.371880 | .00025840 |
| 6 | 4d | 20.507355 | .00004006 |
| ORB.ENERGY,a.u. | -.228910 | ||
| NORM | 1.000000 | < R > | 5.000615 | < R2 > | 28.832580 | < 1/R > | .237177 | < 1/R**2 > | .069850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.824576 | 1.41097363 |
| 2 | 3p | 3.423674 | -.51775359 |
| 3 | 2p | 7.714987 | .10322008 |
| 4 | 4p | 8.748867 | .02790159 |
| 5 | 5p | 2.209366 | .02770561 |
| 6 | 4p | 2.005095 | -.03208288 |
| 7 | 5p | 26.372509 | -.00021085 |
| 8 | 4p | 15.787912 | .00049380 |
| ORB.ENERGY,a.u. | -2.272900 | ||
| NORM | 1.000000 | < R > | .739074 | < R2 > | .690338 | < 1/R > | 1.796349 | < 1/R**2 > | 4.607859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122928 | .32132542 |
| 2 | 2s | 4.168017 | -.81294019 |
| 3 | 3s | 3.302552 | -.32077500 |
| 4 | 4s | 14.653272 | .01142527 |
| 5 | 3s | 18.695444 | .00218754 |
| 6 | 5s | 29.133638 | .00038049 |
| 7 | 5s | 2.413562 | -.00589508 |
| 8 | 4s | 2.762004 | .01203780 |
| 9 | 3s | 1.511031 | .00192670 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753040 | < R2 > | .678131 | < 1/R > | 1.927053 | < 1/R**2 > | 15.317131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337190 |
| 2 | 1s | 15.493172 | .08642236 |
| 3 | 2s | 5.346379 | .01503641 |
| 4 | 3s | 7.015787 | -.01793566 |
| 5 | 4s | 9.115755 | .01104703 |
| 6 | 5s | 25.956388 | .00105056 |
| 7 | 4s | 58.239985 | -.00005616 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142771 | < R2 > | .027437 | < 1/R > | 10.611130 | < 1/R**2 > | 227.654116 |
Total Energy= -160.22426642 a.u.
Kinetic Energy= 160.22630761 a.u.
Potential Energy= -320.45057403 a.u.
Virial Ratio = -1.99998726