(1s 2 2s 2 2p 5 5d 1 ) 1 F Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | .493586 | 1.70809612 |
| 2 | 4d | .411644 | -5.53645221 |
| 3 | 5d | .401274 | 4.55479781 |
| 4 | 3d | 1.227357 | .03150175 |
| 5 | 5d | 1.862647 | -.00835560 |
| 6 | 4d | 3.941724 | .00439277 |
| 7 | 5d | 7.287668 | .00031288 |
| 8 | 3d | 5.479008 | .00161276 |
| ORB.ENERGY,a.u. | -.081036 | ||
| NORM | 1.000008 | < R > | 16.979103 | < R2 > | 327.634962 | < 1/R > | .082570 | < 1/R**2 > | .014443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.846390 | 1.40662143 |
| 2 | 3p | 3.457566 | -.51030531 |
| 3 | 2p | 7.771975 | .09958995 |
| 4 | 4p | 8.812580 | .02715037 |
| 5 | 5p | 2.166127 | .02862268 |
| 6 | 4p | 1.921218 | -.03148710 |
| 7 | 5p | 25.981411 | -.00025138 |
| 8 | 4p | 16.449438 | .00054684 |
| ORB.ENERGY,a.u. | -2.466400 | ||
| NORM | 1.000000 | < R > | .738572 | < R2 > | .689077 | < 1/R > | 1.797006 | < 1/R**2 > | 4.610342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.126610 | .32113644 |
| 2 | 2s | 4.174273 | -.80992204 |
| 3 | 3s | 3.323572 | -.32045219 |
| 4 | 4s | 14.677102 | .01172962 |
| 5 | 3s | 19.728387 | .00202013 |
| 6 | 5s | 27.725578 | .00049467 |
| 7 | 5s | 2.356004 | -.00532179 |
| 8 | 4s | 2.617005 | .00792218 |
| 9 | 3s | 1.443698 | .00185574 |
| 10 | 2s | 77.365368 | .00000226 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752953 | < R2 > | .677901 | < 1/R > | 1.927150 | < 1/R**2 > | 15.318077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336993 |
| 2 | 1s | 15.492794 | .08642428 |
| 3 | 2s | 5.346030 | .01503991 |
| 4 | 3s | 7.014793 | -.01793795 |
| 5 | 4s | 9.114109 | .01105068 |
| 6 | 5s | 25.924864 | .00104934 |
| 7 | 4s | 58.321497 | -.00005717 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611088 | < 1/R**2 > | 227.652707 |
Total Energy= -160.07893393 a.u.
Kinetic Energy= 160.07843350 a.u.
Potential Energy= -320.15736742 a.u.
Virial Ratio = -2.00000313