(1s 2 2s 2 2p 2 3p 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3.704016 | .53846579 |
| 2 | 3p | 1.920123 | -1.26065088 |
| 3 | 2p | 11.798698 | .00725019 |
| 4 | 4p | 6.524238 | -.05070244 |
| 5 | 5p | 3.811688 | .09036749 |
| 6 | 5p | 2.526466 | .04169404 |
| 7 | 3p | 33.679957 | .00001823 |
| ORB.ENERGY,a.u. | -1.756500 | ||
| NORM | 1.000000 | < R > | 1.974577 | < R2 > | 4.453493 | < 1/R > | .679529 | < 1/R**2 > | .982585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.613910 | 1.33824017 |
| 2 | 3p | 4.201897 | -.37851916 |
| 3 | 2p | 9.631366 | .03648305 |
| 4 | 4p | 10.514318 | .00998990 |
| 5 | 5p | 23.598588 | -.00029047 |
| 6 | 5p | 2.910578 | .02455451 |
| 7 | 4p | 2.800911 | -.03485569 |
| ORB.ENERGY,a.u. | -5.669300 | ||
| NORM | 1.000000 | < R > | .614629 | < R2 > | .462949 | < 1/R > | 2.084892 | < 1/R**2 > | 5.976085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.977847 | .36366567 |
| 2 | 2s | 4.425361 | -.83262983 |
| 3 | 3s | 4.377943 | -.27232770 |
| 4 | 4s | 17.788331 | .00273092 |
| 5 | 3s | 10.687812 | .01913764 |
| 6 | 5s | 4.300384 | -.03302225 |
| 7 | 4s | 2.374796 | -.00099181 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .682578 | < R2 > | .548905 | < 1/R > | 2.126668 | < 1/R**2 > | 18.420074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124084 | .89360222 |
| 2 | 1s | 15.372940 | .10683134 |
| 3 | 2s | 9.446612 | .01815115 |
| 4 | 3s | 11.650573 | -.01497969 |
| 5 | 5s | 26.472191 | .00128008 |
| 6 | 4s | 65.225012 | -.00003770 |
| 7 | 5s | 8.921424 | .00096965 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142228 | < R2 > | .027174 | < 1/R > | 10.635585 | < 1/R**2 > | 228.451705 |
Total Energy= -150.50509362 a.u.
Kinetic Energy= 150.52655567 a.u.
Potential Energy= -301.03164929 a.u.
Virial Ratio = -1.99985742