(1s 2 2s 2 2p 2 4p 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 4p- electron | |
| 1 | 2p | 2.393390 | .13457814 |
| 2 | 3p | .733901 | -1.08886745 |
| 3 | 4p | .591379 | 1.74877966 |
| 4 | 5p | 1.489601 | -.08382433 |
| 5 | 2p | 5.109181 | .02094031 |
| 6 | 5p | .641490 | -.10554327 |
| 7 | 5p | 7.224166 | .00421101 |
| 8 | 4p | 17.729150 | -.00014692 |
| ORB.ENERGY,a.u. | -.166160 | ||
| NORM | .999996 | < R > | 8.607918 | < R2 > | 83.779876 | < 1/R > | .158146 | < 1/R**2 > | .071499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.305919 | .77614249 |
| 2 | 2p | 3.882027 | .22552110 |
| 3 | 2p | 7.949791 | .01472734 |
| 4 | 3p | 1.622236 | .03431457 |
| 5 | 4p | 1.525818 | -.00818007 |
| 6 | 5p | 16.482974 | -.00109148 |
| 7 | 5p | .538486 | -.00032412 |
| 8 | 4p | 23.950224 | -.00021882 |
| ORB.ENERGY,a.u. | -1.824100 | ||
| NORM | 1.000000 | < R > | .984927 | < R2 > | 1.200967 | < 1/R > | 1.318822 | < 1/R**2 > | 2.433446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.681568 | .31105421 |
| 2 | 2s | 2.922111 | -.84284125 |
| 3 | 3s | 2.523122 | -.26503595 |
| 4 | 4s | 9.683699 | .01821303 |
| 5 | 3s | 11.175516 | .00716487 |
| 6 | 5s | 2.627656 | -.00666649 |
| 7 | 5s | 19.709647 | .00061926 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034901 | < R2 > | 1.271105 | < 1/R > | 1.387111 | < 1/R**2 > | 7.830199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339811 | .73693360 |
| 2 | 1s | 10.790347 | .19547609 |
| 3 | 1s | 2.235968 | .00412965 |
| 4 | 2s | 7.732741 | .09951130 |
| 5 | 3s | 8.871461 | -.02278159 |
| 6 | 4s | 15.079918 | .00462751 |
| 7 | 5s | 3.856401 | -.00080083 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198225 | < R2 > | .052893 | < 1/R > | 7.650239 | < 1/R**2 > | 118.567893 |
Total Energy= -73.26437871 a.u.
Kinetic Energy= 73.26634715 a.u.
Potential Energy= -146.53072586 a.u.
Virial Ratio = -1.99997313