(1s 2 2s 2 2p 5 5p 1 ) 1 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 4.942417 | .06264238 |
| 2 | 2p | .192598 | 3.11371096 |
| 3 | 3p | .476204 | -7.99101291 |
| 4 | 4p | .677091 | 6.35152680 |
| 5 | 5p | .288874 | -2.20286854 |
| 6 | 4p | 5.916771 | .01454883 |
| 7 | 5p | 2.559450 | -.10792393 |
| ORB.ENERGY,a.u. | -.105250 | ||
| NORM | 1.000006 | < R > | 14.548324 | < R2 > | 258.804190 | < 1/R > | .111898 | < 1/R**2 > | .056082 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.910324 | 1.35706737 |
| 2 | 3p | 3.543646 | -.45937375 |
| 3 | 2p | 7.770330 | .09712228 |
| 4 | 4p | 8.833324 | .02449280 |
| 5 | 5p | .889893 | .06575618 |
| 6 | 4p | .442887 | -.17386354 |
| 7 | 5p | .413063 | .18439111 |
| 8 | 3p | .152105 | -.37715019 |
| 9 | 5p | .200874 | .16883836 |
| 10 | 5p | 29.547165 | -.00013598 |
| 11 | 2p | .118788 | .14928853 |
| ORB.ENERGY,a.u. | -2.451400 | ||
| NORM | 1.000000 | < R > | .745027 | < R2 > | .820581 | < 1/R > | 1.796526 | < 1/R**2 > | 4.608178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.131551 | .32047248 |
| 2 | 2s | 4.150114 | -.81705592 |
| 3 | 3s | 3.292741 | -.31272781 |
| 4 | 4s | 14.826694 | .01144367 |
| 5 | 3s | 19.735625 | .00181124 |
| 6 | 5s | 29.320817 | .00041798 |
| 7 | 5s | 2.181373 | -.02790471 |
| 8 | 4s | 1.921883 | .03252616 |
| 9 | 3s | .815645 | -.00026409 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753894 | < R2 > | .679719 | < 1/R > | 1.924741 | < 1/R**2 > | 15.282146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229490 | .91337344 |
| 2 | 1s | 15.493202 | .08642617 |
| 3 | 2s | 5.351464 | .01505180 |
| 4 | 3s | 7.008476 | -.01795290 |
| 5 | 4s | 9.093194 | .01110069 |
| 6 | 5s | 25.690935 | .00103033 |
| 7 | 4s | 58.598567 | -.00006384 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142784 | < R2 > | .027443 | < 1/R > | 10.610520 | < 1/R**2 > | 227.633733 |
Total Energy= -160.08757166 a.u.
Kinetic Energy= 160.09929920 a.u.
Potential Energy= -320.18687086 a.u.
Virial Ratio = -1.99992675