(1s 2 2s 2 2p 1 3p 1 ) 1 S P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3.225889 | .87981259 |
| 2 | 3p | 3.546668 | -1.81832457 |
| 3 | 2p | 10.799464 | .01453069 |
| 4 | 4p | 7.372496 | .04890318 |
| 5 | 5p | 22.503354 | .00141349 |
| 6 | 5p | 3.614705 | -.01143390 |
| 7 | 4p | 36.212372 | .00013758 |
| ORB.ENERGY,a.u. | -6.157600 | ||
| NORM | 1.000000 | < R > | 1.144564 | < R2 > | 1.446019 | < 1/R > | .988174 | < 1/R**2 > | 1.258678 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.141064 | 1.04836654 |
| 2 | 3p | 3.277951 | -.31142490 |
| 3 | 2p | 10.975162 | .07052713 |
| 4 | 5p | 12.178299 | .01072686 |
| 5 | 4p | 24.629046 | -.00247274 |
| 6 | 5p | 3.016135 | .02705015 |
| 7 | 3p | 29.262902 | -.00058249 |
| 8 | 4p | 2.212002 | -.01560590 |
| 9 | 3p | 1.598168 | .00472540 |
| ORB.ENERGY,a.u. | -16.524000 | ||
| NORM | 1.000000 | < R > | .376934 | < R2 > | .192855 | < 1/R > | 3.417940 | < 1/R**2 > | 15.592766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.953241 | .37123705 |
| 2 | 2s | 5.650965 | -.80774559 |
| 3 | 3s | 8.184820 | -.28136690 |
| 4 | 4s | 28.160064 | .00132437 |
| 5 | 5s | 15.893252 | -.01048835 |
| 6 | 5s | 6.529809 | .01412898 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458371 | < R2 > | .246036 | < 1/R > | 3.199275 | < 1/R**2 > | 41.430018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.159511 | .93135799 |
| 2 | 1s | 21.932161 | .06839659 |
| 3 | 2s | 13.052291 | .01914005 |
| 4 | 3s | 16.209402 | -.01652360 |
| 5 | 4s | 74.670827 | -.00006378 |
| 6 | 5s | 34.298089 | .00081118 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103013 | < R2 > | .014217 | < 1/R > | 14.643928 | < 1/R**2 > | 431.807703 |
Total Energy= -282.34637196 a.u.
Kinetic Energy= 282.24750387 a.u.
Potential Energy= -564.59387583 a.u.
Virial Ratio = -2.00035029