(1s 2 2s 2 2p 2 4s 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 12.585498 | .11700418 |
| 2 | 2s | 3.388042 | -1.46205874 |
| 3 | 3s | 3.022216 | 3.91850013 |
| 4 | 4s | 2.719323 | -2.90835921 |
| 5 | 5s | 4.101219 | -.25888011 |
| 6 | 4s | 12.694836 | -.00981996 |
| 7 | 5s | 38.366561 | .00025890 |
| 8 | 5s | 1.576064 | -.00069947 |
| ORB.ENERGY,a.u. | -3.617900 | ||
| NORM | .999999 | < R > | 2.085725 | < R2 > | 4.883659 | < 1/R > | .683946 | < 1/R**2 > | 3.643804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.299415 | 1.12873836 |
| 2 | 3p | 7.329687 | -.15262180 |
| 3 | 2p | 15.556967 | .02069427 |
| 4 | 4p | 19.159413 | .00740473 |
| 5 | 5p | 27.428425 | -.00169588 |
| 6 | 5p | 3.020698 | .00017020 |
| 7 | 4p | 74.447467 | .00003143 |
| ORB.ENERGY,a.u. | -17.916000 | ||
| NORM | 1.000000 | < R > | .378597 | < R2 > | .173954 | < 1/R > | 3.349038 | < 1/R**2 > | 15.232426 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.450219 | .43159326 |
| 2 | 2s | 7.079181 | -.87381100 |
| 3 | 3s | 7.289625 | -.27568670 |
| 4 | 4s | 27.291139 | .00241069 |
| 5 | 3s | 13.622064 | .02822166 |
| 6 | 5s | 7.697178 | -.04374316 |
| 7 | 4s | 2.310723 | -.02104502 |
| 8 | 3s | 1.930539 | .01634927 |
| 9 | 5s | 77.698403 | .00001607 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .432679 | < R2 > | .219488 | < 1/R > | 3.390074 | < 1/R**2 > | 46.628655 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.227153 | .91521904 |
| 2 | 1s | 22.403507 | .07599399 |
| 3 | 2s | 15.674087 | .01711887 |
| 4 | 3s | 7.865924 | -.02783347 |
| 5 | 5s | 15.365152 | .01227025 |
| 6 | 3s | 44.355743 | -.00036858 |
| 7 | 5s | 10.024242 | .01661916 |
| 8 | 4s | 2.031066 | .00141968 |
| 9 | 3s | 1.547350 | -.00090713 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096570 | < R2 > | .012502 | < 1/R > | 15.625573 | < 1/R**2 > | 491.681075 |
Total Energy= -338.56041915 a.u.
Kinetic Energy= 338.53926359 a.u.
Potential Energy= -677.09968275 a.u.
Virial Ratio = -2.00006249