(1s 2 2s 2 2p 5 3s 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 9.895190 | .07097724 |
| 2 | 2s | 3.104084 | -.26548296 |
| 3 | 3s | 1.293455 | .95518603 |
| 4 | 4s | 7.635535 | -.04076069 |
| 5 | 5s | 1.218876 | .12003918 |
| 6 | 5s | 13.974420 | -.00773056 |
| 7 | 4s | 19.281810 | -.00220977 |
| 8 | 5s | 50.522414 | -.00003109 |
| 9 | 2s | 52.442062 | .00001457 |
| ORB.ENERGY,a.u. | -.519210 | ||
| NORM | 1.000000 | < R > | 2.961499 | < R2 > | 10.044954 | < 1/R > | .441924 | < 1/R**2 > | 1.054059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.747127 | 1.42793980 |
| 2 | 3p | 3.308122 | -.54719908 |
| 3 | 2p | 7.561312 | .11458229 |
| 4 | 4p | 8.475895 | .03153596 |
| 5 | 5p | 2.160562 | .04102667 |
| 6 | 4p | 1.962277 | -.04822579 |
| 7 | 5p | 26.024023 | -.00019738 |
| 8 | 4p | 13.401676 | .00106672 |
| ORB.ENERGY,a.u. | -2.175000 | ||
| NORM | 1.000000 | < R > | .742082 | < R2 > | .697428 | < 1/R > | 1.791713 | < 1/R**2 > | 4.588591 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.090020 | .27596963 |
| 2 | 2s | 3.172317 | -.76536859 |
| 3 | 3s | 6.287921 | -.23565092 |
| 4 | 4s | 5.129462 | -.04643328 |
| 5 | 5s | 12.681374 | -.00986269 |
| 6 | 5s | 2.790063 | -.00864951 |
| 7 | 4s | 1.260959 | -.00327631 |
| 8 | 4s | 45.728927 | -.00005232 |
| 9 | 2s | 20.260357 | -.00015781 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .754750 | < R2 > | .682584 | < 1/R > | 1.924572 | < 1/R**2 > | 15.286848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229776 | .91354357 |
| 2 | 1s | 15.499964 | .08629268 |
| 3 | 2s | 5.347333 | .01508366 |
| 4 | 3s | 6.984480 | -.01784250 |
| 5 | 4s | 9.062802 | .01085939 |
| 6 | 5s | 26.067216 | .00099786 |
| 7 | 4s | 57.062072 | -.00006010 |
| 8 | 5s | 2.021069 | .00014926 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142767 | < R2 > | .027435 | < 1/R > | 10.611264 | < 1/R**2 > | 227.657490 |
Total Energy= -160.51208617 a.u.
Kinetic Energy= 160.51599530 a.u.
Potential Energy= -321.02808146 a.u.
Virial Ratio = -1.99997565