(1s 2 2s 2 2p 2 5p 1 ) 2 S O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 2.046037 | .09741496 |
| 2 | 3p | .814408 | -.79353608 |
| 3 | 4p | .524680 | 2.54034639 |
| 4 | 5p | .459444 | -2.48860543 |
| 5 | 2p | 4.152992 | .03328979 |
| 6 | 5p | 5.196141 | .00189366 |
| 7 | 3p | 7.692126 | -.00200571 |
| ORB.ENERGY,a.u. | -.102150 | ||
| NORM | .999999 | < R > | 14.279139 | < R2 > | 229.160435 | < 1/R > | .098312 | < 1/R**2 > | .035693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.293664 | .81982364 |
| 2 | 2p | 4.045485 | .20692026 |
| 3 | 2p | 8.910745 | .00947650 |
| 4 | 3p | 1.595307 | .02601944 |
| 5 | 4p | 2.918231 | -.01864667 |
| 6 | 5p | 18.728601 | -.00029051 |
| 7 | 5p | 1.698439 | -.00546019 |
| 8 | 4p | 79.557744 | .00000227 |
| ORB.ENERGY,a.u. | -1.895500 | ||
| NORM | 1.000000 | < R > | .984930 | < R2 > | 1.200636 | < 1/R > | 1.318619 | < 1/R**2 > | 2.432598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.679766 | .31135405 |
| 2 | 2s | 2.924036 | -.84315756 |
| 3 | 3s | 2.524027 | -.26502093 |
| 4 | 4s | 9.677580 | .01846460 |
| 5 | 3s | 11.240771 | .00707020 |
| 6 | 5s | 2.703548 | -.00645295 |
| 7 | 5s | 19.604501 | .00064306 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034276 | < R2 > | 1.269362 | < 1/R > | 1.387883 | < 1/R**2 > | 7.838284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339873 | .73694182 |
| 2 | 1s | 10.790712 | .19546879 |
| 3 | 1s | 2.230655 | .00411881 |
| 4 | 2s | 7.733967 | .09951172 |
| 5 | 3s | 8.870700 | -.02277763 |
| 6 | 4s | 15.078508 | .00462868 |
| 7 | 5s | 3.861788 | -.00080289 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198219 | < R2 > | .052890 | < 1/R > | 7.650383 | < 1/R**2 > | 118.571347 |
Total Energy= -73.19893739 a.u.
Kinetic Energy= 73.20233895 a.u.
Potential Energy= -146.40127634 a.u.
Virial Ratio = -1.99995353