(1s 2 2s 2 2p 5 3p 1 ) 1 S S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 3.954409 | .49036940 |
| 2 | 3p | 2.561517 | -1.23194033 |
| 3 | 4p | 7.613405 | -.03825653 |
| 4 | 2p | 11.905691 | .02902838 |
| 5 | 5p | 19.952416 | .00253199 |
| 6 | 5p | 2.376707 | .03283850 |
| 7 | 4p | 2.057726 | -.02524029 |
| 8 | 4p | 28.300611 | .00053235 |
| 9 | 3p | 47.007872 | .00002685 |
| ORB.ENERGY,a.u. | -3.297000 | ||
| NORM | 1.000000 | < R > | 1.513941 | < R2 > | 2.562368 | < 1/R > | .808865 | < 1/R**2 > | 1.182065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.601502 | 1.58203769 |
| 2 | 3p | 7.088227 | -.72983432 |
| 3 | 4p | 8.582683 | .15232417 |
| 4 | 5p | 5.961423 | -.00585888 |
| 5 | 5p | 27.101183 | -.00225902 |
| 6 | 4p | 35.581029 | -.00108174 |
| 7 | 4p | 2.896183 | -.02971553 |
| 8 | 3p | 48.288564 | -.00009510 |
| ORB.ENERGY,a.u. | -10.849000 | ||
| NORM | 1.000000 | < R > | .415234 | < R2 > | .210946 | < 1/R > | 3.088843 | < 1/R**2 > | 13.158984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.890285 | .38100697 |
| 2 | 2s | 6.641545 | -.83612157 |
| 3 | 3s | 5.967076 | -.30316108 |
| 4 | 4s | 18.821437 | .00256637 |
| 5 | 3s | 17.133031 | .00752800 |
| 6 | 5s | 33.935396 | .00089169 |
| 7 | 5s | 5.432215 | -.00498053 |
| 8 | 4s | 40.995588 | .00019896 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .463591 | < R2 > | .253777 | < 1/R > | 3.153166 | < 1/R**2 > | 40.780850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176624 | .92317774 |
| 2 | 1s | 22.288381 | .07311993 |
| 3 | 2s | 9.418670 | .02075744 |
| 4 | 3s | 11.638022 | -.02134207 |
| 5 | 4s | 14.356481 | .01078344 |
| 6 | 5s | 38.301885 | .00067318 |
| 7 | 4s | 83.196613 | -.00004252 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097029 | < R2 > | .012647 | < 1/R > | 15.578711 | < 1/R**2 > | 489.403450 |
Total Energy= -380.72565683 a.u.
Kinetic Energy= 380.57969915 a.u.
Potential Energy= -761.30535598 a.u.
Virial Ratio = -2.00038351