(1s 2 2s 2 2p 2 3s 1 ) 2 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 7.105956 | .06918203 |
| 2 | 2s | 2.112002 | -.31869094 |
| 3 | 3s | .969612 | 1.10381602 |
| 4 | 4s | 5.929407 | -.02787323 |
| 5 | 5s | 1.163073 | -.16731682 |
| 6 | 4s | 1.074546 | .13803381 |
| 7 | 5s | 15.636852 | .00085147 |
| 8 | 4s | 10.457664 | -.00257495 |
| ORB.ENERGY,a.u. | -.415500 | ||
| NORM | 1.000000 | < R > | 3.718891 | < R2 > | 15.581608 | < 1/R > | .338230 | < 1/R**2 > | .530166 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.266310 | .82166629 |
| 2 | 2p | 4.059157 | .21138544 |
| 3 | 2p | 9.117403 | .00858398 |
| 4 | 3p | 1.529318 | .02841193 |
| 5 | 4p | 2.634173 | -.02533576 |
| 6 | 5p | 19.023402 | -.00023059 |
| 7 | 5p | 1.509298 | -.01453896 |
| 8 | 5p | 1.372669 | .00639489 |
| ORB.ENERGY,a.u. | -1.635100 | ||
| NORM | 1.000000 | < R > | .988464 | < R2 > | 1.209011 | < 1/R > | 1.314169 | < 1/R**2 > | 2.417573 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.677189 | .31308603 |
| 2 | 2s | 2.923028 | -.84984886 |
| 3 | 3s | 2.505293 | -.26790910 |
| 4 | 4s | 9.662094 | .01870203 |
| 5 | 3s | 11.274208 | .00709425 |
| 6 | 5s | 1.484641 | .00785652 |
| 7 | 5s | 19.452060 | .00068110 |
| 8 | 3s | .884418 | .00937324 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.026651 | < R2 > | 1.246579 | < 1/R > | 1.395499 | < 1/R**2 > | 7.912051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.337493 | .73638693 |
| 2 | 1s | 10.788379 | .19544408 |
| 3 | 1s | 3.218491 | .00581604 |
| 4 | 2s | 7.744138 | .09800699 |
| 5 | 3s | 8.842069 | -.02325092 |
| 6 | 4s | 14.983883 | .00473590 |
| 7 | 5s | 1.541884 | -.00074324 |
| 8 | 5s | 69.380891 | -.00000793 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198241 | < R2 > | .052911 | < 1/R > | 7.649903 | < 1/R**2 > | 118.559448 |
Total Energy= -73.52586387 a.u.
Kinetic Energy= 73.51548596 a.u.
Potential Energy= -147.04134984 a.u.
Virial Ratio = -2.00014117