(1s 2 2s 2 2p 2 5d 1 ) 4 F Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 5d- electron | |
| 1 | 3d | 1.334840 | 1.53419361 |
| 2 | 4d | 1.147941 | -3.61301391 |
| 3 | 5d | 1.004087 | 2.82314529 |
| 4 | 3d | 4.279935 | .03401488 |
| 5 | 5d | 2.282151 | -.10273673 |
| 6 | 4d | 32.531089 | .00001008 |
| 7 | 5d | .679174 | -.00500434 |
| ORB.ENERGY,a.u. | -.522500 | ||
| NORM | 1.000002 | < R > | 6.566789 | < R2 > | 49.031961 | < 1/R > | .215062 | < 1/R**2 > | .100659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.852431 | 1.22007039 |
| 2 | 3p | 4.676107 | -.24554517 |
| 3 | 2p | 10.989726 | .02046331 |
| 4 | 4p | 12.377118 | .01047218 |
| 5 | 5p | 16.852755 | -.00215644 |
| 6 | 5p | 3.236971 | .00221272 |
| 7 | 3p | 27.338743 | .00017159 |
| 8 | 3p | 1.976283 | -.00128258 |
| ORB.ENERGY,a.u. | -6.100800 | ||
| NORM | 1.000000 | < R > | .613006 | < R2 > | .459386 | < 1/R > | 2.087284 | < 1/R**2 > | 5.985017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.005899 | .36342205 |
| 2 | 2s | 4.423281 | -.82560186 |
| 3 | 3s | 4.502018 | -.26834182 |
| 4 | 4s | 17.520829 | .00285422 |
| 5 | 3s | 10.920482 | .01742970 |
| 6 | 5s | 4.495834 | -.04177910 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679685 | < R2 > | .543706 | < 1/R > | 2.135300 | < 1/R**2 > | 18.557003 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126616 | .89440560 |
| 2 | 1s | 15.410078 | .10595464 |
| 3 | 2s | 9.687773 | .01798102 |
| 4 | 3s | 11.814958 | -.01486758 |
| 5 | 5s | 26.560779 | .00135820 |
| 6 | 4s | 68.201848 | -.00003310 |
| 7 | 5s | 8.579108 | .00097655 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027153 | < 1/R > | 10.637959 | < 1/R**2 > | 228.531464 |
Total Energy= -149.28717977 a.u.
Kinetic Energy= 149.29309166 a.u.
Potential Energy= -298.58027143 a.u.
Virial Ratio = -1.99996040