(1s 2 2s 2 2p 1 5d 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 3d | .682784 | 2.30200841 |
| 2 | 4d | .646172 | -5.05910270 |
| 3 | 5d | .583830 | 3.72656377 |
| 4 | 3d | 3.602218 | .00810289 |
| 5 | 4d | .483367 | -.29674777 |
| 6 | 5d | 1.821688 | -.00956179 |
| 7 | 4d | 8.453417 | -.00020451 |
| ORB.ENERGY,a.u. | -.179760 | ||
| NORM | .999993 | < R > | 11.488786 | < R2 > | 149.970347 | < 1/R > | .121492 | < 1/R**2 > | .030534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.621223 | .86773731 |
| 2 | 2p | 4.421964 | .13348552 |
| 3 | 2p | 9.486885 | .00735735 |
| 4 | 3p | 3.038182 | -.00124876 |
| 5 | 4p | 2.506942 | .02305000 |
| 6 | 4p | 13.046054 | -.00072386 |
| ORB.ENERGY,a.u. | -2.688800 | ||
| NORM | 1.000000 | < R > | .907883 | < R2 > | 1.008774 | < 1/R > | 1.412116 | < 1/R**2 > | 2.749607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.291540 | .28785355 |
| 2 | 2s | 2.413323 | -.76673805 |
| 3 | 3s | 4.073221 | -.28656937 |
| 4 | 4s | 14.835820 | .00081110 |
| 5 | 5s | 8.247122 | -.02122813 |
| 6 | 5s | 2.824282 | .03338962 |
| 7 | 4s | 15.888932 | .00087495 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983252 | < R2 > | 1.139033 | < 1/R > | 1.461035 | < 1/R**2 > | 8.642823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355107 | .73313022 |
| 2 | 1s | 10.723541 | .19847656 |
| 3 | 1s | 3.599644 | .00395251 |
| 4 | 2s | 7.717227 | .09865950 |
| 5 | 3s | 8.681146 | -.02316663 |
| 6 | 4s | 14.552406 | .00527807 |
| 7 | 5s | 28.253259 | .00014991 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197792 | < R2 > | .052604 | < 1/R > | 7.660397 | < 1/R**2 > | 118.806581 |
Total Energy= -71.27994619 a.u.
Kinetic Energy= 71.27446213 a.u.
Potential Energy= -142.55440833 a.u.
Virial Ratio = -2.00007694