(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P S 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2p | 9.836525 | .02700985 |
| 2 | 2p | 4.901309 | .12192607 |
| 3 | 3p | 2.029531 | -.79089451 |
| 4 | 4p | 1.260039 | 2.86552562 |
| 5 | 5p | 1.152586 | -2.83501656 |
| 6 | 5p | 16.173853 | .00153425 |
| 7 | 3p | .543729 | -.00371718 |
| 8 | 4p | 40.826928 | -.00003424 |
| ORB.ENERGY,a.u. | -.633280 | ||
| NORM | .999999 | < R > | 5.766246 | < R2 > | 37.318272 | < 1/R > | .244440 | < 1/R**2 > | .227385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.515823 | -.18038502 |
| 2 | 1s | 4.219082 | .05075416 |
| 3 | 1s | 12.959116 | .13158823 |
| 4 | 2s | 5.689641 | -.42542617 |
| 5 | 3s | 2.443519 | .78233473 |
| 6 | 4s | 3.519367 | .43556346 |
| 7 | 5s | 16.533527 | -.00547718 |
| 8 | 4s | 32.082882 | .00029570 |
| ORB.ENERGY,a.u. | -2.601800 | ||
| NORM | 1.000000 | < R > | 1.432772 | < R2 > | 2.325967 | < 1/R > | .954467 | < 1/R**2 > | 5.380112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.900420 | .44848458 |
| 2 | 3p | 6.999805 | .48684471 |
| 3 | 5p | 4.876807 | .00986769 |
| 4 | 4p | 5.791891 | .15982855 |
| 5 | 2p | 19.397114 | .00359274 |
| 6 | 5p | 38.302836 | -.00015456 |
| 7 | 3p | 91.652955 | .00000217 |
| 8 | 4p | 2.531128 | .00008266 |
| ORB.ENERGY,a.u. | -8.689900 | ||
| NORM | 1.000000 | < R > | .437703 | < R2 > | .237747 | < 1/R > | 2.970593 | < 1/R**2 > | 12.316201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.943083 | .37060796 |
| 2 | 2s | 6.563126 | -.82493083 |
| 3 | 3s | 5.711380 | -.29974807 |
| 4 | 4s | 25.910343 | .00195971 |
| 5 | 3s | 16.134763 | .00829727 |
| 6 | 2s | 3.473836 | -.01635227 |
| 7 | 4s | 2.142695 | -.00017142 |
| 8 | 5s | 50.806626 | .00003217 |
| ORB.ENERGY,a.u. | -11.103000 | ||
| NORM | 1.000000 | < R > | .473689 | < R2 > | .265854 | < 1/R > | 3.085683 | < 1/R**2 > | 39.186242 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.602267 | 1.00995014 |
| 2 | 2s | 21.956039 | -.01867645 |
| 3 | 3s | 12.520521 | .01837200 |
| 4 | 3s | 73.585351 | -.00010577 |
| 5 | 4s | 10.008544 | .00183037 |
| 6 | 4s | 54.404675 | -.00036098 |
| 7 | 5s | 13.787806 | -.00440992 |
| 8 | 2s | 121.480258 | -.00000432 |
| 9 | 3s | 2.461741 | .00010066 |
| 10 | 5s | 3.313754 | -.00008669 |
| ORB.ENERGY,a.u. | -93.690000 |
| NORM | 1.000000 | < R > | .097126 | < R2 > | .012679 | < 1/R > | 15.569101 | < 1/R**2 > | 488.937474 |
Total Energy= -391.40528852 a.u.
Kinetic Energy= 391.40749150 a.u.
Potential Energy= -782.81278001 a.u.
Virial Ratio = -1.99999437