(1s 2 2s 2 2p 2 5p 1 ) 4 S N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | .118033 | .15901978 |
| 2 | 2p | .704682 | .05784850 |
| 3 | 3p | .197756 | -5.93757616 |
| 4 | 4p | .284098 | 5.68709870 |
| 5 | 5p | 1.357654 | -.05720786 |
| 6 | 2p | 2.979517 | .01380463 |
| 7 | 5p | 3.499140 | .00410011 |
| 8 | 5p | .845345 | -.14760352 |
| 9 | 3p | 7.128275 | -.00049870 |
| ORB.ENERGY,a.u. | -.026897 | ||
| NORM | .999987 | < R > | 27.393488 | < R2 > | 843.281125 | < 1/R > | .048544 | < 1/R**2 > | .005129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.901786 | .01863005 |
| 2 | 2p | 1.657986 | .64453826 |
| 3 | 2p | 2.826058 | .37834505 |
| 4 | 4p | .372809 | -.01563895 |
| 5 | 5p | .385050 | .03547727 |
| 6 | 5p | 8.706207 | .00187831 |
| 7 | 4p | 3.137645 | .02337731 |
| 8 | 5p | 4.635288 | -.01621477 |
| 9 | 3p | .170455 | -.02216603 |
| ORB.ENERGY,a.u. | -1.000400 | ||
| NORM | 1.000000 | < R > | 1.245000 | < R2 > | 2.011551 | < 1/R > | 1.056283 | < 1/R**2 > | 1.581126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.902314 | .28587020 |
| 2 | 2s | 2.450351 | -.83273257 |
| 3 | 3s | 1.983753 | -.26773885 |
| 4 | 4s | 8.405648 | .02215006 |
| 5 | 3s | 10.350921 | .00660835 |
| 6 | 5s | 2.782941 | -.01271408 |
| 7 | 5s | 16.578763 | .00089888 |
| 8 | 3s | .873890 | -.00036734 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253008 | < R2 > | 1.874749 | < 1/R > | 1.140664 | < 1/R**2 > | 5.285294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229897 | .71795883 |
| 2 | 1s | 9.302554 | .22514629 |
| 3 | 1s | 2.646424 | .00481247 |
| 4 | 2s | 6.904909 | .08343804 |
| 5 | 3s | 7.781130 | -.02157709 |
| 6 | 4s | 12.685450 | .00689444 |
| 7 | 5s | 28.106805 | .00016986 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228086 | < R2 > | .070095 | < 1/R > | 6.656695 | < 1/R**2 > | 89.910334 |
Total Energy= -53.91469390 a.u.
Kinetic Energy= 53.91096344 a.u.
Potential Energy= -107.82565734 a.u.
Virial Ratio = -2.00006920