(1s 2 2s 1 3p 1 ) 3 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.013092 | .93554362 |
| 2 | 3p | 2.403022 | -1.52649831 |
| 3 | 2p | 8.255856 | .02903823 |
| 4 | 4p | 8.792712 | .01172894 |
| 5 | 5p | 5.618795 | -.01845310 |
| 6 | 3p | 25.954805 | .00004574 |
| ORB.ENERGY,a.u. | -2.913200 | ||
| NORM | .999999 | < R > | 1.666991 | < R2 > | 3.200115 | < 1/R > | .835447 | < 1/R**2 > | 1.448664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.220139 | .39316087 |
| 2 | 2s | 4.048021 | -.86779680 |
| 3 | 3s | 5.107706 | -.25612056 |
| 4 | 4s | 15.811388 | .00316604 |
| 5 | 3s | 8.925747 | .03634978 |
| 6 | 5s | 4.680273 | -.02325568 |
| 7 | 4s | 6.691745 | -.01308871 |
| 8 | 4s | 4.780989 | .01718330 |
| 9 | 3s | 2.496383 | -.00261012 |
| ORB.ENERGY,a.u. | -8.082800 | ||
| NORM | 1.000000 | < R > | .693718 | < R2 > | .562184 | < 1/R > | 2.106174 | < 1/R**2 > | 17.929512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.161786 | .87815784 |
| 2 | 1s | 13.604902 | .12309838 |
| 3 | 2s | 7.367811 | .02179094 |
| 4 | 3s | 9.176866 | -.02280652 |
| 5 | 4s | 19.030946 | .00283901 |
| 6 | 5s | 13.479539 | .00099772 |
| 7 | 5s | 34.243381 | -.00002051 |
| 8 | 3s | 29.750770 | -.00014191 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156224 | < R2 > | .032735 | < 1/R > | 9.672262 | < 1/R**2 > | 188.830359 |
Total Energy= -105.53357655 a.u.
Kinetic Energy= 105.54320071 a.u.
Potential Energy= -211.07677726 a.u.
Virial Ratio = -1.99990881