(1s 2 2s 2 2p 5 3s 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 12.339963 | .12860830 |
| 2 | 2s | 4.633093 | -.55756353 |
| 3 | 3s | 2.590903 | 1.21535214 |
| 4 | 4s | 12.660851 | -.01156898 |
| 5 | 5s | 5.456166 | -.04299893 |
| 6 | 4s | 2.173095 | .00580062 |
| 7 | 5s | 32.905214 | .00025314 |
| ORB.ENERGY,a.u. | -3.072600 | ||
| NORM | 1.000000 | < R > | 1.499772 | < R2 > | 2.536702 | < 1/R > | .898226 | < 1/R**2 > | 4.605026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.792160 | 1.23747660 |
| 2 | 3p | 5.602415 | -.32176728 |
| 3 | 2p | 11.209851 | .08038372 |
| 4 | 4p | 13.546017 | .01410889 |
| 5 | 5p | 79.590307 | .00001402 |
| 6 | 5p | 3.509907 | .00074125 |
| ORB.ENERGY,a.u. | -8.853200 | ||
| NORM | 1.000000 | < R > | .460786 | < R2 > | .262470 | < 1/R > | 2.810454 | < 1/R**2 > | 10.981078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.362972 | .32340212 |
| 2 | 2s | 5.066471 | -.77730068 |
| 3 | 3s | 8.605778 | -.22905151 |
| 4 | 4s | 6.865129 | -.06162915 |
| 5 | 5s | 17.910970 | -.00830297 |
| 6 | 5s | 3.248543 | .00632042 |
| 7 | 4s | 64.076124 | -.00003164 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .499118 | < R2 > | .293872 | < 1/R > | 2.921924 | < 1/R**2 > | 35.012608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.227165 | .91505499 |
| 2 | 1s | 20.406995 | .07961107 |
| 3 | 2s | 6.657335 | .02710607 |
| 4 | 3s | 5.719378 | -.04330790 |
| 5 | 4s | 6.420160 | .02828871 |
| 6 | 5s | 38.049446 | .00079466 |
| 7 | 4s | 21.847782 | .00083591 |
| 8 | 5s | 2.850665 | -.00027352 |
| 9 | 3s | 66.132574 | -.00004356 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103686 | < R2 > | .014448 | < 1/R > | 14.583932 | < 1/R**2 > | 429.076179 |
Total Energy= -329.41169819 a.u.
Kinetic Energy= 329.38191060 a.u.
Potential Energy= -658.79360879 a.u.
Virial Ratio = -2.00009043