(1s 2 2s 2 2p 1 5s 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 6.850197 | .04672876 |
| 2 | 2s | 1.712545 | -.42446336 |
| 3 | 3s | 1.478935 | .80503800 |
| 4 | 5s | .943413 | -2.87124634 |
| 5 | 4s | .600000 | 2.99877642 |
| 6 | 5s | 2.322098 | -.03066249 |
| 7 | 4s | 5.925344 | -.01697105 |
| 8 | 3s | .346423 | -.13245266 |
| 9 | 3s | 25.058006 | -.00006257 |
| 10 | 5s | .332637 | .01705877 |
| ORB.ENERGY,a.u. | -.230850 | ||
| NORM | 1.000001 | < R > | 9.782001 | < R2 > | 107.079558 | < 1/R > | .144445 | < 1/R**2 > | .199781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.625518 | .82767888 |
| 2 | 2p | 4.088789 | .17721243 |
| 3 | 2p | 9.486412 | .00685454 |
| 4 | 3p | 4.937268 | -.01830468 |
| 5 | 4p | 2.672387 | .03788212 |
| 6 | 4p | 13.530185 | -.00075902 |
| ORB.ENERGY,a.u. | -2.689900 | ||
| NORM | 1.000000 | < R > | .909673 | < R2 > | 1.013037 | < 1/R > | 1.409802 | < 1/R**2 > | 2.741540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.247102 | .29052228 |
| 2 | 2s | 2.537335 | -.72061138 |
| 3 | 3s | 3.732748 | -.27894567 |
| 4 | 4s | 6.960734 | -.03913618 |
| 5 | 5s | 7.093108 | -.01560813 |
| 6 | 5s | 1.052096 | .00275772 |
| 7 | 5s | 17.574775 | .00093508 |
| 8 | 4s | .521633 | -.00290114 |
| 9 | 3s | 29.006446 | -.00004956 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983270 | < R2 > | 1.139362 | < 1/R > | 1.461074 | < 1/R**2 > | 8.643529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.458476 | .00360747 |
| 2 | 1s | 7.350970 | .73384685 |
| 3 | 1s | 10.730562 | .19833318 |
| 4 | 2s | 7.703833 | .09899283 |
| 5 | 3s | 8.605080 | -.02326504 |
| 6 | 4s | 14.663627 | .00467400 |
| 7 | 5s | 25.154975 | .00016998 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197792 | < R2 > | .052605 | < 1/R > | 7.660367 | < 1/R**2 > | 118.805556 |
Total Energy= -71.32473353 a.u.
Kinetic Energy= 71.32547770 a.u.
Potential Energy= -142.65021124 a.u.
Virial Ratio = -1.99998957