(1s 2 2s 2 2p 6 3p 1 ) 2 P Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | .416873 | -.71960922 |
| 2 | 3p | .606929 | -.31089075 |
| 3 | 2p | 1.634290 | .07412523 |
| 4 | 2p | 3.867437 | .10456974 |
| 5 | 3p | 5.034633 | -.03489792 |
| 6 | 4p | 12.277862 | -.00100018 |
| 7 | 5p | 27.514361 | -.00006065 |
| 8 | 5p | .443268 | .01492993 |
| 9 | 2p | 29.085307 | .00002120 |
| ORB.ENERGY,a.u. | -.109450 | ||
| NORM | 1.000000 | < R > | 5.991244 | < R2 > | 41.856847 | < 1/R > | .206289 | < 1/R**2 > | .079940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.844134 | .37002612 |
| 2 | 3p | 4.433241 | .48235662 |
| 3 | 4p | 3.112584 | .16761498 |
| 4 | 5p | 4.339602 | .06815282 |
| 5 | 2p | 12.879620 | .00527698 |
| 6 | 3p | 2.029052 | .07249738 |
| 7 | 5p | 26.369900 | -.00013381 |
| 8 | 4p | 1.727607 | -.00231340 |
| 9 | 2p | 119.350144 | -.00000012 |
| 10 | 5p | .990195 | .00018013 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796736 | < R2 > | .817176 | < 1/R > | 1.698548 | < 1/R**2 > | 4.194870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.116100 | .31163910 |
| 2 | 2s | 4.293736 | -.73543466 |
| 3 | 3s | 3.371784 | -.37991635 |
| 4 | 4s | 13.372251 | .00754674 |
| 5 | 3s | 13.896123 | .00755934 |
| 6 | 4s | 2.737114 | -.02761242 |
| 7 | 5s | 43.424995 | -.00005955 |
| 8 | 2s | 18.865633 | .00008011 |
| 9 | 3s | 36.514711 | -.00008391 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779343 | < R2 > | .731938 | < 1/R > | 1.866510 | < 1/R**2 > | 14.440429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608132 | 1.01719378 |
| 2 | 2s | 14.004497 | -.03248731 |
| 3 | 3s | 8.616781 | .02561349 |
| 4 | 4s | 56.559924 | -.00002492 |
| 5 | 4s | 20.826997 | .00312028 |
| 6 | 5s | 10.606887 | -.00609001 |
| 7 | 4s | 4.645748 | .00070564 |
| 8 | 3s | 84.381330 | -.00000306 |
| 9 | 5s | 2.158064 | .00000766 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142861 | < R2 > | .027482 | < 1/R > | 10.607256 | < 1/R**2 > | 227.529984 |
Total Energy= -161.78640791 a.u.
Kinetic Energy= 161.78641465 a.u.
Potential Energy= -323.57282257 a.u.
Virial Ratio = -1.99999996