(1s 2 2s 2 2p 1 3p 1 ) 3 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | .582000 | -.29990041 |
| 2 | 3p | .392851 | 1.18963068 |
| 3 | 2p | 2.791997 | .01850736 |
| 4 | 4p | 2.885418 | .02709765 |
| 5 | 5p | 1.443349 | -.04581565 |
| 6 | 3p | 10.466900 | .00027212 |
| 7 | 3p | 45.507787 | .00000399 |
| ORB.ENERGY,a.u. | -.087653 | ||
| NORM | 1.000000 | < R > | 9.905472 | < R2 > | 108.360887 | < 1/R > | .112086 | < 1/R**2 > | .014262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.597383 | .83862995 |
| 2 | 2p | 2.630623 | .20626752 |
| 3 | 2p | 6.554191 | .01063202 |
| 4 | 3p | 2.611838 | -.04876139 |
| 5 | 4p | 1.478029 | .03663198 |
| 6 | 4p | 10.373794 | -.00055618 |
| 7 | 5p | .596311 | .00030477 |
| ORB.ENERGY,a.u. | -.686900 | ||
| NORM | 1.000000 | < R > | 1.467708 | < R2 > | 2.669094 | < 1/R > | .887207 | < 1/R**2 > | 1.107478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.575147 | .24057464 |
| 2 | 2s | 1.558719 | -.75854699 |
| 3 | 3s | 2.866949 | -.27253453 |
| 4 | 4s | 11.391224 | .00143264 |
| 5 | 5s | 5.908541 | -.02747735 |
| 6 | 5s | 1.796789 | .02631602 |
| 7 | 4s | 11.410914 | .00076606 |
| 8 | 4s | 1.249474 | -.00331080 |
| 9 | 2s | 27.806326 | -.00000868 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475955 | < R2 > | 2.591010 | < 1/R > | .960875 | < 1/R**2 > | 3.713994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212974 | .71611771 |
| 2 | 1s | 8.200593 | .22613084 |
| 3 | 1s | 2.383477 | .00353837 |
| 4 | 2s | 6.450542 | .08051163 |
| 5 | 3s | 6.781489 | -.01402041 |
| 6 | 4s | 10.925879 | .00565690 |
| 7 | 5s | 42.404621 | -.00002652 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268108 | < R2 > | .096884 | < 1/R > | 5.668431 | < 1/R**2 > | 65.301558 |
Total Energy= -37.36834241 a.u.
Kinetic Energy= 37.33195369 a.u.
Potential Energy= -74.70029610 a.u.
Virial Ratio = -2.00097473