(1s 2 2s 2 2p 6 3s 2 3p 3 5p 1 ) 3 P S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 4p | .551692 | .59959204 |
| 2 | 5p | .322198 | -1.12268423 |
| 3 | 3p | 2.235709 | -.06090025 |
| 4 | 2p | 9.681424 | .00379532 |
| 5 | 2p | 5.097706 | .01659655 |
| 6 | 5p | 1.801921 | -.05103231 |
| 7 | 3p | 17.617215 | -.00008885 |
| 8 | 3p | .654131 | .07913314 |
| 9 | 2p | .147699 | -.02832416 |
| ORB.ENERGY,a.u. | -.041034 | ||
| NORM | 1.000000 | < R > | 17.554810 | < R2 > | 346.390017 | < 1/R > | .071866 | < 1/R**2 > | .011257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.912506 | .38827031 |
| 2 | 2p | 1.409355 | -.98746628 |
| 3 | 3p | 8.863931 | -.05897862 |
| 4 | 5p | 6.324643 | .06401803 |
| 5 | 4p | 2.723268 | -.09672015 |
| 6 | 5p | .656896 | .01060712 |
| 7 | 3p | .230709 | -.01506929 |
| 8 | 4p | 25.635751 | -.00045570 |
| 9 | 2p | 43.647140 | .00002176 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.878945 | < R2 > | 4.149573 | < 1/R > | .705548 | < 1/R**2 > | 1.095049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.056650 | .55878613 |
| 2 | 1s | 12.589917 | .10234283 |
| 3 | 2s | 4.757662 | -.49791282 |
| 4 | 3s | 2.187549 | .54682865 |
| 5 | 4s | 3.807236 | .10171902 |
| 6 | 2s | 7.741037 | -.10058726 |
| 7 | 4s | 24.447559 | .00091726 |
| 8 | 2s | 24.326630 | -.00047455 |
| 9 | 5s | 1.450726 | -.02966592 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.659801 | < R2 > | 3.176159 | < 1/R > | .813135 | < 1/R**2 > | 3.791244 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.946204 | .44316717 |
| 2 | 3p | 6.916211 | .50874681 |
| 3 | 4p | 5.544536 | .15037515 |
| 4 | 5p | 4.022693 | .00650928 |
| 5 | 2p | 21.378068 | .00243209 |
| 6 | 3p | 49.752923 | .00002859 |
| 7 | 4p | 1.733900 | .00022264 |
| 8 | 5p | 60.866196 | .00001801 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440820 | < R2 > | .241767 | < 1/R > | 2.955379 | < 1/R**2 > | 12.208997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924476 | .37010709 |
| 2 | 2s | 6.883744 | -.73720874 |
| 3 | 3s | 6.024139 | -.38884603 |
| 4 | 4s | 4.885129 | -.02956410 |
| 5 | 3s | 15.821826 | .00936482 |
| 6 | 4s | 26.701814 | .00176128 |
| 7 | 5s | 2.578692 | -.00051425 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475541 | < R2 > | .268230 | < 1/R > | 3.074589 | < 1/R**2 > | 38.931784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563578 | 1.01357538 |
| 2 | 2s | 18.224267 | -.01501449 |
| 3 | 3s | 14.022943 | .01729012 |
| 4 | 4s | 62.615882 | -.00035962 |
| 5 | 4s | 6.671890 | .00185259 |
| 6 | 5s | 82.268999 | .00011292 |
| 7 | 5s | 7.109188 | -.00118489 |
| 8 | 2s | 23.677806 | -.00960522 |
| 9 | 2s | 212.262573 | .00000080 |
| 10 | 3s | 1.580813 | -.00001048 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566702 | < 1/R**2 > | 488.818653 |
Total Energy= -397.21489048 a.u.
Kinetic Energy= 397.21420809 a.u.
Potential Energy= -794.42909856 a.u.
Virial Ratio = -2.00000172