(1s 2 2s 1 5s 1 ) 1 S S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 1.844172 | 1.14879875 |
| 2 | 2s | 2.188780 | -9.50673019 |
| 3 | 3s | 3.227549 | 10.17008667 |
| 4 | 4s | 2.540765 | -9.38076351 |
| 5 | 5s | 2.624251 | 9.10921234 |
| 6 | 5s | 5.866700 | -.01756592 |
| 7 | 1s | 20.043229 | .00513075 |
| 8 | 5s | 19.603785 | -.00290914 |
| 9 | 4s | 13.620791 | .00913733 |
| ORB.ENERGY,a.u. | -3.526200 | ||
| NORM | 1.000003 | < R > | 2.767596 | < R2 > | 8.573797 | < 1/R > | .494081 | < 1/R**2 > | 1.585685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.048191 | .35264758 |
| 2 | 2s | 4.220862 | -.85138342 |
| 3 | 3s | 9.588509 | -.57646285 |
| 4 | 4s | 5.432750 | .48503729 |
| 5 | 5s | 2.236915 | .78920959 |
| 6 | 5s | 24.499047 | -.00250983 |
| 7 | 4s | 1.930563 | -.89971834 |
| 8 | 4s | 40.687195 | -.00127009 |
| 9 | 3s | 1.444831 | .12100029 |
| 10 | 3s | 58.724240 | -.00039472 |
| 11 | 2s | 89.404835 | -.00003753 |
| ORB.ENERGY,a.u. | -25.495000 | ||
| NORM | 1.000000 | < R > | .411283 | < R2 > | .219489 | < 1/R > | 3.665060 | < 1/R**2 > | 54.204985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.408488 | .93945032 |
| 2 | 1s | 24.459428 | .04794531 |
| 3 | 2s | 18.999518 | .01675456 |
| 4 | 3s | 11.147347 | .00166966 |
| 5 | 4s | 63.385682 | -.00045346 |
| 6 | 5s | 84.207784 | .00016695 |
| 7 | 5s | 6.312490 | .00256615 |
| 8 | 4s | 5.037862 | -.00262556 |
| 9 | 3s | 1.291213 | .00024095 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096121 | < R2 > | .012364 | < 1/R > | 15.674648 | < 1/R**2 > | 494.136847 |
Total Energy= -275.52458959 a.u.
Kinetic Energy= 275.51196884 a.u.
Potential Energy= -551.03655843 a.u.
Virial Ratio = -2.00004581