(1s 2 2s 2 2p 1 ) 2 P Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 4.224591 | .97916142 |
| 2 | 2p | 8.031989 | .03623596 |
| 3 | 2p | 13.340081 | .00617686 |
| 4 | 3p | 3.752892 | .02527843 |
| 5 | 4p | 6.354180 | -.03635731 |
| 6 | 5p | 25.656605 | -.00025718 |
| 7 | 5p | 4.403299 | .00469488 |
| ORB.ENERGY,a.u. | -7.660300 | ||
| NORM | 1.000000 | < R > | .583484 | < R2 > | .413711 | < 1/R > | 2.177454 | < 1/R**2 > | 6.460703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.687180 | .33783591 |
| 2 | 2s | 3.864840 | -.78816040 |
| 3 | 3s | 5.691243 | -.28128429 |
| 4 | 4s | 3.870112 | .01999044 |
| 5 | 5s | 11.564090 | -.01735280 |
| 6 | 4s | 21.290526 | .00133494 |
| ORB.ENERGY,a.u. | -8.114800 | ||
| NORM | 1.000000 | < R > | .656841 | < R2 > | .505866 | < 1/R > | 2.213330 | < 1/R**2 > | 19.845110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.283643 | .95259192 |
| 2 | 1s | 17.571734 | .05243763 |
| 3 | 2s | 8.952811 | .02046742 |
| 4 | 3s | 15.925205 | -.01182321 |
| 5 | 5s | 28.615880 | .00103772 |
| 6 | 4s | 12.849149 | -.01236780 |
| 7 | 4s | 75.189092 | -.00001788 |
| ORB.ENERGY,a.u. | -48.033000 |
| NORM | 1.000000 | < R > | .141852 | < R2 > | .026999 | < 1/R > | 10.653442 | < 1/R**2 > | 229.043785 |
Total Energy= -142.44630913 a.u.
Kinetic Energy= 142.44631054 a.u.
Potential Energy= -284.89261967 a.u.
Virial Ratio = -1.99999999