(1s 2 2s 2 2p 5 4s 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 14.082362 | .07525267 |
| 2 | 2s | 2.869534 | -1.11703960 |
| 3 | 3s | 2.795635 | 2.46772900 |
| 4 | 4s | 2.014770 | -1.73448198 |
| 5 | 5s | 4.042062 | -.22935572 |
| 6 | 4s | 12.582376 | -.02753197 |
| 7 | 5s | 23.048062 | -.00225456 |
| 8 | 4s | 26.233789 | -.00043766 |
| 9 | 5s | 1.369803 | .00189932 |
| 10 | 2s | 30.068254 | .00048180 |
| ORB.ENERGY,a.u. | -2.016400 | ||
| NORM | 1.000000 | < R > | 2.624541 | < R2 > | 7.734513 | < 1/R > | .531913 | < 1/R**2 > | 2.181585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.365109 | 1.20495490 |
| 2 | 3p | 6.322437 | -.27718678 |
| 3 | 2p | 12.224545 | .07017731 |
| 4 | 4p | 14.760739 | .01186681 |
| 5 | 5p | 4.443662 | .00054861 |
| 6 | 5p | 83.539090 | .00001504 |
| ORB.ENERGY,a.u. | -11.539000 | ||
| NORM | 1.000000 | < R > | .420302 | < R2 > | .217603 | < 1/R > | 3.069194 | < 1/R**2 > | 13.040704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.044158 | .33611440 |
| 2 | 2s | 5.713675 | -.76908636 |
| 3 | 3s | 8.940326 | -.22667045 |
| 4 | 4s | 6.754668 | -.08234029 |
| 5 | 5s | 19.016644 | -.00812694 |
| 6 | 5s | 2.109309 | -.00683486 |
| 7 | 4s | 72.174398 | -.00003074 |
| 8 | 3s | 1.501489 | .00298053 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462114 | < R2 > | .252111 | < 1/R > | 3.163402 | < 1/R**2 > | 41.026067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176704 | .92421228 |
| 2 | 1s | 22.361631 | .07221648 |
| 3 | 2s | 10.060118 | .01933186 |
| 4 | 3s | 12.617083 | -.01856270 |
| 5 | 4s | 15.125568 | .00939272 |
| 6 | 5s | 39.197925 | .00059760 |
| 7 | 3s | 54.129051 | -.00010393 |
| 8 | 5s | 2.082160 | .00163005 |
| 9 | 4s | 1.772050 | -.00138585 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097017 | < R2 > | .012644 | < 1/R > | 15.579970 | < 1/R**2 > | 489.463970 |
Total Energy= -379.30809505 a.u.
Kinetic Energy= 379.29691146 a.u.
Potential Energy= -758.60500651 a.u.
Virial Ratio = -2.00002949