(1s 2 2s 2 2p 2 3p 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | .311156 | 1.50908845 |
| 2 | 3p | .505031 | -3.31532294 |
| 3 | 2p | 2.779233 | .07448235 |
| 4 | 4p | .623832 | .89545010 |
| 5 | 5p | 2.814489 | .02137107 |
| 6 | 3p | 5.091773 | -.00535104 |
| 7 | 5p | .243968 | -.02708977 |
| 8 | 4p | 14.332960 | -.00018404 |
| ORB.ENERGY,a.u. | -.044568 | ||
| NORM | 1.000000 | < R > | 6.061666 | < R2 > | 42.106853 | < 1/R > | .192224 | < 1/R**2 > | .053570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.824062 | .75658611 |
| 2 | 2p | 3.195307 | .24180651 |
| 3 | 2p | 6.705697 | .01659448 |
| 4 | 3p | .543447 | -.11048108 |
| 5 | 4p | .682456 | .04127225 |
| 6 | 3p | 1.424629 | .05502446 |
| 7 | 5p | 13.816220 | -.00139220 |
| 8 | 5p | .433585 | .01797160 |
| 9 | 4p | 20.077304 | -.00030835 |
| ORB.ENERGY,a.u. | -.788610 | ||
| NORM | 1.000000 | < R > | 1.229786 | < R2 > | 1.925588 | < 1/R > | 1.065330 | < 1/R**2 > | 1.601867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.863088 | .28791022 |
| 2 | 2s | 2.486843 | -.82905122 |
| 3 | 3s | 1.956877 | -.26569238 |
| 4 | 4s | 7.863338 | .02255949 |
| 5 | 3s | 9.109038 | .01116106 |
| 6 | 5s | 3.062840 | -.02976833 |
| 7 | 5s | 15.991785 | .00096417 |
| 8 | 3s | .690778 | -.00054433 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.256590 | < R2 > | 1.886490 | < 1/R > | 1.137482 | < 1/R**2 > | 5.257144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229454 | .71784891 |
| 2 | 1s | 9.302112 | .22515555 |
| 3 | 1s | 2.688251 | .00510626 |
| 4 | 2s | 6.903896 | .08328986 |
| 5 | 3s | 7.779785 | -.02159528 |
| 6 | 4s | 12.682131 | .00688393 |
| 7 | 5s | 28.051677 | .00017101 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228118 | < R2 > | .070119 | < 1/R > | 6.656127 | < 1/R**2 > | 89.898556 |
Total Energy= -53.97747016 a.u.
Kinetic Energy= 54.03988824 a.u.
Potential Energy= -108.01735840 a.u.
Virial Ratio = -1.99884496