(1s 2 2s 2 2p 2 5p 1 ) 2 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 4.250948 | .39224760 |
| 2 | 3p | 2.408780 | -3.39958176 |
| 3 | 4p | 2.156552 | 7.76114132 |
| 4 | 5p | 2.079994 | -5.35503060 |
| 5 | 2p | 9.905973 | .03823308 |
| 6 | 5p | 33.614619 | -.00031447 |
| 7 | 4p | 49.249027 | -.00006885 |
| 8 | 4p | 1.462501 | -.01274873 |
| ORB.ENERGY,a.u. | -2.141000 | ||
| NORM | .999999 | < R > | 3.412275 | < R2 > | 13.093745 | < 1/R > | .416913 | < 1/R**2 > | .576567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.541671 | 1.21097714 |
| 2 | 3p | 8.667531 | -.25784473 |
| 3 | 4p | 11.098274 | .04578729 |
| 4 | 5p | 2.582508 | .05400085 |
| 5 | 4p | 1.888809 | -.05427194 |
| 6 | 5p | 35.324256 | -.00098092 |
| 7 | 5p | 61.105277 | -.00014646 |
| 8 | 3p | 53.396131 | -.00006805 |
| ORB.ENERGY,a.u. | -18.126000 | ||
| NORM | 1.000000 | < R > | .377869 | < R2 > | .174308 | < 1/R > | 3.356425 | < 1/R**2 > | 15.291560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.623704 | .42196094 |
| 2 | 2s | 6.970284 | -.86306307 |
| 3 | 3s | 7.116659 | -.28391396 |
| 4 | 4s | 26.934441 | .00206154 |
| 5 | 3s | 14.861630 | .01736262 |
| 6 | 5s | 7.159341 | -.02229691 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433317 | < R2 > | .220041 | < 1/R > | 3.384122 | < 1/R**2 > | 46.471929 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111751 | .92672806 |
| 2 | 1s | 23.114076 | .07200858 |
| 3 | 2s | 14.108638 | .01948814 |
| 4 | 3s | 17.756469 | -.01558681 |
| 5 | 5s | 37.649226 | .00090255 |
| 6 | 4s | 89.391756 | -.00003612 |
| 7 | 5s | 11.944090 | .00035272 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096564 | < R2 > | .012499 | < 1/R > | 15.626150 | < 1/R**2 > | 491.710301 |
Total Energy= -337.08061613 a.u.
Kinetic Energy= 337.06837101 a.u.
Potential Energy= -674.14898714 a.u.
Virial Ratio = -2.00003633