(1s 2 2s 2 2p 5 5p 1 ) 1 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2.659447 | .06105950 |
| 2 | 3p | .906475 | -.63909825 |
| 3 | 4p | .539827 | 2.24918890 |
| 4 | 5p | .472935 | -2.60729875 |
| 5 | 2p | 5.983375 | .02378001 |
| 6 | 5p | 8.171546 | .00291221 |
| 7 | 5p | .498257 | .27365164 |
| 8 | 4p | 21.083712 | -.00015275 |
| ORB.ENERGY,a.u. | -.105560 | ||
| NORM | 1.000002 | < R > | 13.774810 | < R2 > | 213.557788 | < 1/R > | .101315 | < 1/R**2 > | .037745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.536439 | 1.53029613 |
| 2 | 3p | 4.801255 | -.69444399 |
| 3 | 4p | 6.062479 | .12151826 |
| 4 | 5p | 3.258008 | .07835258 |
| 5 | 4p | 15.959685 | -.00376571 |
| 6 | 4p | .773654 | .00064928 |
| 7 | 5p | 31.708457 | -.00013006 |
| 8 | 3p | 22.872093 | -.00050434 |
| 9 | 5p | .365607 | -.00080660 |
| ORB.ENERGY,a.u. | -2.451700 | ||
| NORM | 1.000000 | < R > | .738587 | < R2 > | .689169 | < 1/R > | 1.796900 | < 1/R**2 > | 4.609741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122992 | .32128280 |
| 2 | 2s | 4.174355 | -.80961285 |
| 3 | 3s | 3.323787 | -.32079910 |
| 4 | 4s | 14.659853 | .01135642 |
| 5 | 3s | 18.529548 | .00223147 |
| 6 | 5s | 29.433178 | .00035427 |
| 7 | 5s | 2.328571 | -.00515168 |
| 8 | 4s | 2.667574 | .00727676 |
| 9 | 3s | 1.471437 | .00232434 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753067 | < R2 > | .678124 | < 1/R > | 1.926865 | < 1/R**2 > | 15.313816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336738 |
| 2 | 1s | 15.492227 | .08642721 |
| 3 | 2s | 5.346112 | .01504296 |
| 4 | 3s | 7.013758 | -.01794018 |
| 5 | 4s | 9.111618 | .01105619 |
| 6 | 5s | 25.875069 | .00104745 |
| 7 | 4s | 58.439536 | -.00005874 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142773 | < R2 > | .027438 | < 1/R > | 10.611030 | < 1/R**2 > | 227.650773 |
Total Energy= -160.10322575 a.u.
Kinetic Energy= 160.10295687 a.u.
Potential Energy= -320.20618262 a.u.
Virial Ratio = -2.00000168