(1s 2 2s 2 2p 2 5p 1 ) 2 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 2.829741 | .06084013 |
| 2 | 3p | .363380 | -7.30062908 |
| 3 | 4p | .514997 | 7.09844165 |
| 4 | 5p | 1.314402 | -.10436386 |
| 5 | 2p | 7.793694 | .00135281 |
| 6 | 5p | 3.134500 | .02785846 |
| 7 | 5p | .355117 | .23466936 |
| 8 | 4p | .742074 | -.06935333 |
| ORB.ENERGY,a.u. | -.096624 | ||
| NORM | .999998 | < R > | 15.091262 | < R2 > | 255.772989 | < 1/R > | .088974 | < 1/R**2 > | .020635 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.299911 | .76221634 |
| 2 | 2p | 4.004768 | .23136555 |
| 3 | 2p | 9.148997 | .00822590 |
| 4 | 3p | .405501 | -.12946072 |
| 5 | 4p | .538838 | .13191990 |
| 6 | 3p | 1.871716 | .02996712 |
| 7 | 4p | 4.067423 | .01495791 |
| 8 | 5p | 18.166027 | -.00028890 |
| 9 | 4p | 70.664085 | .00000238 |
| 10 | 5p | .362208 | -.00571883 |
| ORB.ENERGY,a.u. | -1.890000 | ||
| NORM | 1.000000 | < R > | .985131 | < R2 > | 1.256142 | < 1/R > | 1.321066 | < 1/R**2 > | 2.439824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680802 | .31129153 |
| 2 | 2s | 2.923194 | -.84305969 |
| 3 | 3s | 2.524517 | -.26505355 |
| 4 | 4s | 9.698524 | .01836973 |
| 5 | 3s | 11.242712 | .00702833 |
| 6 | 5s | 2.696535 | -.00620886 |
| 7 | 5s | 19.715740 | .00062259 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034204 | < R2 > | 1.269131 | < 1/R > | 1.387941 | < 1/R**2 > | 7.838780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339865 | .73694198 |
| 2 | 1s | 10.790696 | .19547063 |
| 3 | 1s | 2.227240 | .00411754 |
| 4 | 2s | 7.733955 | .09951306 |
| 5 | 3s | 8.870914 | -.02277606 |
| 6 | 4s | 15.079070 | .00462843 |
| 7 | 5s | 3.857839 | -.00080515 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198219 | < R2 > | .052890 | < 1/R > | 7.650380 | < 1/R**2 > | 118.571279 |
Total Energy= -73.19895022 a.u.
Kinetic Energy= 73.19681010 a.u.
Potential Energy= -146.39576032 a.u.
Virial Ratio = -2.00002924