(1s 2 2s 2 2p 6 3s 2 4p 1 ) 2 P P 2+
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 | 3p | .430183 | -.34197311 |
| 2 | 2p | .377380 | .51972398 |
| 3 | 5p | 1.168032 | .88616969 |
| 4 | 4p | 2.237670 | -.45306009 |
| 5 | 2p | 6.406347 | .12150520 |
| 6 | 5p | 4.225457 | -.09805381 |
| 7 | 3p | 9.524739 | -.01548727 |
| 8 | 4p | 13.828688 | .00184642 |
| ORB.ENERGY,a.u. | -.449900 | ||
| NORM | 1.000000 | < R > | 4.786493 | < R2 > | 25.777144 | < 1/R > | .280231 | < 1/R**2 > | .236146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.115496 | -.10451491 |
| 2 | 1s | 10.856086 | .17916710 |
| 3 | 1s | 60.436897 | .00007434 |
| 4 | 2s | 4.831713 | -.37032736 |
| 5 | 3s | 2.085344 | .90887073 |
| 6 | 4s | 3.265613 | .16989461 |
| 7 | 3s | 32.418171 | -.00067639 |
| 8 | 5s | 1.746914 | .00811421 |
| ORB.ENERGY,a.u. | -1.571700 | ||
| NORM | 1.000000 | < R > | 1.704653 | < R2 > | 3.309758 | < 1/R > | .788149 | < 1/R**2 > | 3.558944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.146306 | .45306993 |
| 2 | 3p | 6.276837 | .49851121 |
| 3 | 4p | 5.023232 | .15205079 |
| 4 | 5p | 3.731322 | .00571702 |
| 5 | 2p | 17.605827 | .00437116 |
| 6 | 5p | 35.046458 | -.00018947 |
| 7 | 4p | 107.040263 | .00000480 |
| 8 | 3p | 220.937546 | .00000051 |
| 9 | 4p | .758145 | -.00003156 |
| ORB.ENERGY,a.u. | -6.198300 | ||
| NORM | 1.000000 | < R > | .482267 | < R2 > | .290183 | < 1/R > | 2.710930 | < 1/R**2 > | 10.314208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.239999 | .35868008 |
| 2 | 2s | 5.460296 | -.77265054 |
| 3 | 3s | 4.847816 | -.16990015 |
| 4 | 4s | 19.368179 | .00612589 |
| 5 | 2s | 6.602742 | -.17880624 |
| 6 | 3s | 21.276379 | .00360155 |
| 7 | 5s | 35.558845 | .00021143 |
| 8 | 4s | 4.063703 | -.00183297 |
| 9 | 2s | 60.164202 | .00001553 |
| 10 | 5s | 1.261332 | .00005299 |
| ORB.ENERGY,a.u. | -8.262700 | ||
| NORM | 1.000000 | < R > | .514051 | < R2 > | .313671 | < 1/R > | 2.839932 | < 1/R**2 > | 33.232409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570170 | 1.01435322 |
| 2 | 2s | 20.443998 | -.02220488 |
| 3 | 3s | 10.608653 | .01920249 |
| 4 | 4s | 58.519180 | -.00051303 |
| 5 | 4s | 10.109809 | .00282470 |
| 6 | 5s | 74.406677 | .00018885 |
| 7 | 5s | 12.470835 | -.00817383 |
| 8 | 2s | 2.564680 | -.00011148 |
| 9 | 2s | 3.177501 | .00024637 |
| 10 | 3s | 122.401276 | -.00000944 |
| ORB.ENERGY,a.u. | -80.167000 |
| NORM | 1.000000 | < R > | .103788 | < R2 > | .014483 | < 1/R > | 14.575024 | < 1/R**2 > | 428.672670 |
Total Energy= -339.01326108 a.u.
Kinetic Energy= 339.01326117 a.u.
Potential Energy= -678.02652225 a.u.
Virial Ratio = -2.00000000