(1s 2 2s 1 4s 1 ) 1 S N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 5.566581 | .05939307 |
| 2 | 2s | 1.173241 | -1.28307943 |
| 3 | 3s | 1.176553 | 3.55535811 |
| 4 | 4s | 1.089387 | -2.95510561 |
| 5 | 5s | 2.084927 | .16269386 |
| 6 | 4s | 3.580684 | -.04118883 |
| 7 | 5s | 12.850304 | .00191892 |
| 8 | 4s | 17.932365 | .00046717 |
| ORB.ENERGY,a.u. | -.578340 | ||
| NORM | 1.000001 | < R > | 5.198411 | < R2 > | 30.211585 | < 1/R > | .243995 | < 1/R**2 > | .235688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.777783 | .28941947 |
| 2 | 2s | 1.546994 | -.67044446 |
| 3 | 3s | 3.608340 | -.65826694 |
| 4 | 4s | 1.983650 | .41190147 |
| 5 | 5s | 1.087978 | -.13091447 |
| 6 | 5s | 7.980580 | -.01672789 |
| 7 | 3s | 8.611997 | -.00034265 |
| 8 | 3s | .616524 | .02727473 |
| 9 | 4s | .545846 | -.00560796 |
| 10 | 4s | 30.282879 | -.00006501 |
| ORB.ENERGY,a.u. | -3.337000 | ||
| NORM | 1.000000 | < R > | 1.059150 | < R2 > | 1.468404 | < 1/R > | 1.398642 | < 1/R**2 > | 7.906515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.276895 | .89168545 |
| 2 | 1s | 10.018881 | .11352733 |
| 3 | 2s | 5.462663 | .01705231 |
| 4 | 3s | 6.957101 | -.02228680 |
| 5 | 4s | 12.366615 | .00481215 |
| 6 | 5s | 9.498260 | .00092794 |
| 7 | 5s | 2.936672 | .00059913 |
| 8 | 4s | .839960 | -.00036074 |
| 9 | 5s | 44.873873 | -.00004613 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226963 | < R2 > | .069262 | < 1/R > | 6.677827 | < 1/R**2 > | 90.355049 |
Total Energy= -48.91085258 a.u.
Kinetic Energy= 48.90498955 a.u.
Potential Energy= -97.81584213 a.u.
Virial Ratio = -2.00011989