(1s 2 2s 2 2p 2 4p 1 ) 2 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 6.933643 | .26345826 |
| 2 | 3p | 2.258104 | -.63290242 |
| 3 | 5p | 2.540084 | 1.39755472 |
| 4 | 4p | 3.805033 | -.65213300 |
| 5 | 5p | 9.373581 | .02415775 |
| 6 | 4p | 23.012378 | -.00190398 |
| 7 | 5p | 3.151052 | .33353686 |
| 8 | 5p | 55.333304 | -.00013145 |
| 9 | 4p | 85.795345 | -.00002468 |
| 10 | 4p | .697929 | .00017528 |
| ORB.ENERGY,a.u. | -2.846400 | ||
| NORM | 1.000000 | < R > | 2.278347 | < R2 > | 5.871752 | < 1/R > | .622322 | < 1/R**2 > | 1.093139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.793987 | 1.15108047 |
| 2 | 3p | 6.770523 | -.17581255 |
| 3 | 2p | 14.556809 | .02091203 |
| 4 | 4p | 17.362006 | .00728200 |
| 5 | 5p | 25.243669 | -.00147455 |
| 6 | 5p | 2.075205 | -.00033228 |
| 7 | 4p | 68.651027 | .00002974 |
| ORB.ENERGY,a.u. | -15.047000 | ||
| NORM | 1.000000 | < R > | .409754 | < R2 > | .203981 | < 1/R > | 3.098331 | < 1/R**2 > | 13.057241 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.902929 | .41247944 |
| 2 | 2s | 6.466651 | -.85454720 |
| 3 | 3s | 6.648022 | -.28043139 |
| 4 | 4s | 25.368497 | .00217727 |
| 5 | 3s | 13.778237 | .01902592 |
| 6 | 5s | 6.698210 | -.03117012 |
| 7 | 4s | 2.043071 | .00017293 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467544 | < R2 > | .256337 | < 1/R > | 3.131474 | < 1/R**2 > | 39.821416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.108794 | .92172453 |
| 2 | 1s | 21.591288 | .07719187 |
| 3 | 2s | 13.428580 | .01934191 |
| 4 | 3s | 16.738903 | -.01553478 |
| 5 | 5s | 35.612405 | .00099056 |
| 6 | 4s | 86.763602 | -.00003235 |
| 7 | 5s | 11.764760 | .00050402 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103199 | < R2 > | .014280 | < 1/R > | 14.627104 | < 1/R**2 > | 431.039102 |
Total Energy= -294.49746234 a.u.
Kinetic Energy= 294.53966474 a.u.
Potential Energy= -589.03712708 a.u.
Virial Ratio = -1.99985672