(1s 2 2s 2 2p 5 4d 1 ) 1 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | .502746 | 2.07618503 |
| 2 | 4d | .501738 | -2.60953057 |
| 3 | 3d | 4.805172 | .00110353 |
| 4 | 4d | 1.146802 | .00957614 |
| 5 | 5d | 12.737517 | -.00004775 |
| ORB.ENERGY,a.u. | -.125600 | ||
| NORM | 1.000005 | < R > | 10.451484 | < R2 > | 124.820208 | < 1/R > | .125582 | < 1/R**2 > | .025287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.850864 | 1.40541988 |
| 2 | 3p | 3.464413 | -.50835495 |
| 3 | 2p | 7.782241 | .09892771 |
| 4 | 4p | 8.832672 | .02695258 |
| 5 | 5p | 2.196695 | .02688921 |
| 6 | 4p | 1.947696 | -.02974994 |
| 7 | 5p | 26.121925 | -.00024810 |
| 8 | 4p | 16.723773 | .00051435 |
| ORB.ENERGY,a.u. | -2.403100 | ||
| NORM | 1.000000 | < R > | .738432 | < R2 > | .688700 | < 1/R > | 1.797167 | < 1/R**2 > | 4.610914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.129404 | .32098011 |
| 2 | 2s | 4.173898 | -.80977860 |
| 3 | 3s | 3.326036 | -.31990454 |
| 4 | 4s | 14.707941 | .01185786 |
| 5 | 3s | 20.285805 | .00192534 |
| 6 | 5s | 27.450336 | .00055719 |
| 7 | 5s | 2.340881 | -.00524904 |
| 8 | 4s | 2.576710 | .00725833 |
| 9 | 3s | 1.430844 | .00179380 |
| 10 | 2s | 70.003400 | .00000361 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752978 | < R2 > | .677953 | < 1/R > | 1.927095 | < 1/R**2 > | 15.317275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336992 |
| 2 | 1s | 15.492605 | .08642534 |
| 3 | 2s | 5.345887 | .01503931 |
| 4 | 3s | 7.014624 | -.01793824 |
| 5 | 4s | 9.113622 | .01105198 |
| 6 | 5s | 25.911329 | .00104882 |
| 7 | 4s | 58.355446 | -.00005764 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027438 | < 1/R > | 10.611079 | < 1/R**2 > | 227.652423 |
Total Energy= -160.12461275 a.u.
Kinetic Energy= 160.12299868 a.u.
Potential Energy= -320.24761143 a.u.
Virial Ratio = -2.00001008