(1s 2 2s 2 2p 6 3p 1 ) 2 P P 4+
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 | 1.580015 | -.08204696 |
| 2 | 3p | 2.095127 | -1.01809833 |
| 3 | 2p | 3.926035 | .28564175 |
| 4 | 2p | 7.633874 | .14017810 |
| 5 | 3p | 10.559936 | -.01215385 |
| 6 | 4p | 29.858271 | -.00058286 |
| 7 | 5p | 41.569734 | .00017475 |
| ORB.ENERGY,a.u. | -1.969000 | ||
| NORM | 1.000000 | < R > | 1.752142 | < R2 > | 3.511690 | < 1/R > | .759533 | < 1/R**2 > | 1.275535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.160587 | .45346924 |
| 2 | 3p | 6.301628 | .49713569 |
| 3 | 4p | 5.048090 | .15869416 |
| 4 | 5p | 3.263928 | .01260100 |
| 5 | 2p | 17.843648 | .00421258 |
| 6 | 5p | 35.641940 | -.00015477 |
| 7 | 3p | 2.038603 | -.01850689 |
| 8 | 3p | 83.622336 | .00000246 |
| 9 | 5p | 2.310485 | .00582156 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .480014 | < R2 > | .286937 | < 1/R > | 2.719770 | < 1/R**2 > | 10.370869 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.233818 | .35838951 |
| 2 | 2s | 5.973794 | -.84303520 |
| 3 | 3s | 5.092649 | -.28783631 |
| 4 | 4s | 20.762060 | .00319414 |
| 5 | 3s | 17.173815 | .00564604 |
| 6 | 4s | 3.415268 | -.00212956 |
| 7 | 5s | 40.713336 | .00019116 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .514704 | < R2 > | .314463 | < 1/R > | 2.835719 | < 1/R**2 > | 33.136186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.568878 | 1.01445369 |
| 2 | 2s | 20.420370 | -.02234669 |
| 3 | 3s | 10.621394 | .01925146 |
| 4 | 4s | 56.474895 | -.00050261 |
| 5 | 4s | 10.022346 | .00289683 |
| 6 | 5s | 70.680061 | .00017177 |
| 7 | 5s | 12.445830 | -.00822012 |
| 8 | 2s | 2.542972 | -.00002413 |
| 9 | 2s | 4.033451 | .00014361 |
| 10 | 3s | 107.256395 | -.00001383 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103798 | < R2 > | .014486 | < 1/R > | 14.574275 | < 1/R**2 > | 428.642937 |
Total Energy= -336.33774570 a.u.
Kinetic Energy= 336.33772100 a.u.
Potential Energy= -672.67546670 a.u.
Virial Ratio = -2.00000007