(1s 2 2s 2 2p 2 4p 1 ) 2 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 2.201970 | .09060219 |
| 2 | 3p | .571325 | -1.45030083 |
| 3 | 4p | .581663 | 2.30690931 |
| 4 | 5p | 1.603401 | -.12692748 |
| 5 | 2p | 5.181322 | .01324550 |
| 6 | 5p | 1.120646 | -.24502774 |
| 7 | 5p | 8.195639 | .00203506 |
| ORB.ENERGY,a.u. | -.159560 | ||
| NORM | 1.000001 | < R > | 8.994176 | < R2 > | 91.139949 | < 1/R > | .142790 | < 1/R**2 > | .042190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.277203 | .76763650 |
| 2 | 2p | 4.054469 | .23485412 |
| 3 | 2p | 9.851005 | .00621384 |
| 4 | 3p | .739678 | -.05824093 |
| 5 | 5p | 37.646125 | .00003457 |
| 6 | 4p | .789719 | .04011470 |
| 7 | 4p | 4.135435 | .02206208 |
| 8 | 3p | 1.599082 | .02324177 |
| 9 | 5p | .610381 | .02529663 |
| ORB.ENERGY,a.u. | -1.817500 | ||
| NORM | 1.000000 | < R > | .982764 | < R2 > | 1.234989 | < 1/R > | 1.323457 | < 1/R**2 > | 2.446727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.682677 | .31099819 |
| 2 | 2s | 2.921152 | -.84283016 |
| 3 | 3s | 2.523157 | -.26506696 |
| 4 | 4s | 9.708166 | .01813011 |
| 5 | 3s | 11.187644 | .00710192 |
| 6 | 5s | 2.637666 | -.00622429 |
| 7 | 5s | 19.823143 | .00059848 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034750 | < R2 > | 1.270619 | < 1/R > | 1.387234 | < 1/R**2 > | 7.831248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339829 | .73693223 |
| 2 | 1s | 10.790432 | .19547307 |
| 3 | 1s | 2.236668 | .00413462 |
| 4 | 2s | 7.732956 | .09951122 |
| 5 | 3s | 8.871528 | -.02278233 |
| 6 | 4s | 15.079987 | .00462803 |
| 7 | 5s | 3.854819 | -.00079914 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198225 | < R2 > | .052893 | < 1/R > | 7.650247 | < 1/R**2 > | 118.568121 |
Total Energy= -73.26415283 a.u.
Kinetic Energy= 73.25974827 a.u.
Potential Energy= -146.52390110 a.u.
Virial Ratio = -2.00006012