(1s 2 2s 2 2p 3 5p 1 ) 5 P O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 3p | .492534 | -.66570402 |
| 2 | 4p | .304906 | 1.71870333 |
| 3 | 5p | .241316 | -1.83859675 |
| 4 | 2p | 4.055808 | .01554159 |
| 5 | 5p | .721232 | .10560174 |
| 6 | 3p | 6.929496 | -.00140907 |
| 7 | 2p | 2.058933 | .04045333 |
| ORB.ENERGY,a.u. | -.027907 | ||
| NORM | .999991 | < R > | 25.980381 | < R2 > | 760.957595 | < 1/R > | .053549 | < 1/R**2 > | .009952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.019110 | .72076110 |
| 2 | 2p | 3.530131 | .28815375 |
| 3 | 2p | 7.594819 | .02035661 |
| 4 | 3p | 1.183226 | -.00384472 |
| 5 | 4p | 1.752719 | .03178323 |
| 6 | 5p | 9.675572 | .00385325 |
| ORB.ENERGY,a.u. | -1.197800 | ||
| NORM | 1.000000 | < R > | 1.078026 | < R2 > | 1.460739 | < 1/R > | 1.225571 | < 1/R**2 > | 2.139790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.734049 | .29211708 |
| 2 | 2s | 2.837694 | -.83203044 |
| 3 | 3s | 2.163265 | -.30015346 |
| 4 | 3s | 9.201640 | .01505624 |
| 5 | 4s | 9.541384 | .00777590 |
| 6 | 5s | 2.176566 | .03186788 |
| 7 | 5s | 37.308786 | -.00005722 |
| 8 | 4s | 1.603825 | -.01386941 |
| 9 | 3s | .960168 | .00180522 |
| 10 | 2s | 57.532965 | .00000473 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089441 | < R2 > | 1.421734 | < 1/R > | 1.319660 | < 1/R**2 > | 7.125220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.132188 | .84499447 |
| 2 | 1s | 10.474594 | .16186451 |
| 3 | 2s | 6.269874 | -.00623652 |
| 4 | 3s | 4.026929 | .00208047 |
| 5 | 4s | 14.852424 | .00494730 |
| 6 | 5s | 8.128244 | .00204812 |
| 7 | 3s | 39.879379 | -.00003101 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198488 | < R2 > | .053073 | < 1/R > | 7.644305 | < 1/R**2 > | 118.430379 |
Total Energy= -74.40003696 a.u.
Kinetic Energy= 74.40051781 a.u.
Potential Energy= -148.80055476 a.u.
Virial Ratio = -1.99999354