(1s 2 2s 2 2p 6 3s 2 3p 3 4s 1 ) 5 S S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 12.643399 | .03004127 |
| 2 | 2s | 5.941706 | -.09151991 |
| 3 | 3s | 2.429451 | .28485018 |
| 4 | 4s | .705112 | -.67265671 |
| 5 | 5s | 1.273864 | -.23878175 |
| 6 | 2s | .318723 | -.17101807 |
| 7 | 5s | 16.055443 | -.00146229 |
| 8 | 4s | 6.690697 | -.02151781 |
| 9 | 3s | .298564 | .03903772 |
| 10 | 3s | 20.711434 | .00019854 |
| ORB.ENERGY,a.u. | -.130440 | ||
| NORM | 1.000000 | < R > | 5.930800 | < R2 > | 40.154791 | < 1/R > | .214327 | < 1/R**2 > | .283578 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 2.751318 | -.11661044 |
| 2 | 2p | 5.965849 | .37854332 |
| 3 | 2p | 1.404201 | -.94609168 |
| 4 | 3p | 9.107337 | -.05476040 |
| 5 | 5p | 6.362718 | .06114477 |
| 6 | 4p | 22.744203 | -.00044634 |
| 7 | 5p | 11.271859 | -.00229455 |
| 8 | 3p | 22.748502 | -.00036474 |
| 9 | 3p | .738263 | -.04028404 |
| 10 | 5p | .895644 | .01570797 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.899739 | < R2 > | 4.234304 | < 1/R > | .699731 | < 1/R**2 > | 1.079611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.293739 | 1.82576240 |
| 2 | 1s | 15.166408 | .04203296 |
| 3 | 2s | 5.575173 | -.96875266 |
| 4 | 4s | 4.514753 | -.30254980 |
| 5 | 5s | 7.229496 | -.11542282 |
| 6 | 3s | .816549 | .03123222 |
| 7 | 3s | 49.840731 | -.00029028 |
| 8 | 2s | 1.034909 | -.12970683 |
| 9 | 4s | 72.932206 | .00009178 |
| 10 | 2s | 146.482076 | -.00000329 |
| 11 | 5s | .531514 | .00155632 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.666730 | < R2 > | 3.215119 | < 1/R > | .811264 | < 1/R**2 > | 3.777720 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.946559 | .44310027 |
| 2 | 3p | 6.916260 | .50881383 |
| 3 | 4p | 5.543302 | .15041168 |
| 4 | 5p | 4.021907 | .00651544 |
| 5 | 2p | 21.383648 | .00243005 |
| 6 | 3p | 49.555802 | .00002867 |
| 7 | 4p | 1.791011 | .00018161 |
| 8 | 5p | 61.009061 | .00001774 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440848 | < R2 > | .241803 | < 1/R > | 2.955238 | < 1/R**2 > | 12.207998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924506 | .37013210 |
| 2 | 2s | 6.883924 | -.73722179 |
| 3 | 3s | 6.024768 | -.38883812 |
| 4 | 4s | 4.883984 | -.02957250 |
| 5 | 3s | 15.829508 | .00936466 |
| 6 | 4s | 26.702716 | .00175692 |
| 7 | 5s | 2.453540 | -.00049199 |
| 8 | 4s | .644878 | -.00009806 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475508 | < R2 > | .268190 | < 1/R > | 3.074804 | < 1/R**2 > | 38.936880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563605 | 1.01357455 |
| 2 | 2s | 18.222008 | -.01501392 |
| 3 | 3s | 14.023836 | .01728895 |
| 4 | 4s | 62.638168 | -.00035987 |
| 5 | 4s | 6.670618 | .00185319 |
| 6 | 5s | 82.277770 | .00011299 |
| 7 | 5s | 7.108465 | -.00118507 |
| 8 | 2s | 23.678099 | -.00960537 |
| 9 | 2s | 215.495697 | .00000078 |
| 10 | 3s | 1.002495 | -.00001471 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566741 | < 1/R**2 > | 488.820408 |
Total Energy= -397.29758466 a.u.
Kinetic Energy= 397.30331078 a.u.
Potential Energy= -794.60089544 a.u.
Virial Ratio = -1.99998559