(1s 2 2s 2 2p 4 3d 1 ) 2 F Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 1.059024 | 1.07964165 |
| 2 | 3d | 3.602023 | .03045173 |
| 3 | 4d | 1.437406 | -.11007952 |
| 4 | 5d | 5.550932 | -.00411876 |
| 5 | 5d | 1.026013 | .02774707 |
| 6 | 4d | 20.579652 | .00003926 |
| ORB.ENERGY,a.u. | -.512000 | ||
| NORM | 1.000000 | < R > | 3.342034 | < R2 > | 12.890422 | < 1/R > | .355310 | < 1/R**2 > | .156725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.149188 | 1.37480515 |
| 2 | 3p | 3.812785 | -.44308989 |
| 3 | 2p | 8.421673 | .06926207 |
| 4 | 4p | 9.626358 | .01998098 |
| 5 | 5p | 13.475778 | -.00038726 |
| 6 | 5p | 2.715883 | .01799927 |
| 7 | 4p | 44.752129 | .00002352 |
| 8 | 4p | 2.660349 | -.02858934 |
| ORB.ENERGY,a.u. | -3.139100 | ||
| NORM | 1.000000 | < R > | .690049 | < R2 > | .593567 | < 1/R > | 1.895077 | < 1/R**2 > | 5.050068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.070524 | .33501620 |
| 2 | 2s | 4.235109 | -.82975440 |
| 3 | 3s | 3.560988 | -.29498531 |
| 4 | 4s | 13.857497 | .01100651 |
| 5 | 3s | 15.406304 | .00464746 |
| 6 | 5s | 28.349421 | .00038388 |
| 7 | 5s | 2.557811 | -.00111654 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728047 | < R2 > | .630031 | < 1/R > | 1.991437 | < 1/R**2 > | 16.285563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123877 |
| 2 | 1s | 15.432956 | .08736847 |
| 3 | 2s | 5.656314 | .01836364 |
| 4 | 3s | 7.096296 | -.01929670 |
| 5 | 4s | 9.049038 | .00950573 |
| 6 | 5s | 26.227056 | .00115095 |
| 7 | 4s | 61.709887 | -.00004595 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142635 | < R2 > | .027370 | < 1/R > | 10.617141 | < 1/R**2 > | 227.848803 |
Total Energy= -157.94130574 a.u.
Kinetic Energy= 157.93576477 a.u.
Potential Energy= -315.87707051 a.u.
Virial Ratio = -2.00003508