(1s 2 2s 2 2p 4 3d 1 ) 4 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 1.097879 | 1.18010357 |
| 2 | 3d | 3.500909 | .04329962 |
| 3 | 4d | 1.439243 | -.20797359 |
| 4 | 5d | 5.554955 | -.00443223 |
| 5 | 5d | .953266 | .01976128 |
| 6 | 4d | 20.945538 | .00004853 |
| 7 | 4d | .578131 | -.00137533 |
| ORB.ENERGY,a.u. | -.528960 | ||
| NORM | 1.000000 | < R > | 3.186775 | < R2 > | 11.799227 | < 1/R > | .376379 | < 1/R**2 > | .178457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.123300 | 1.38085539 |
| 2 | 3p | 3.789050 | -.44959379 |
| 3 | 2p | 8.242574 | .07477218 |
| 4 | 4p | 9.318638 | .01937293 |
| 5 | 5p | 26.342048 | -.00015786 |
| 6 | 5p | 2.765235 | .02089423 |
| 7 | 4p | 87.788137 | .00000161 |
| 8 | 4p | 2.743094 | -.03672110 |
| ORB.ENERGY,a.u. | -3.156100 | ||
| NORM | 1.000000 | < R > | .691145 | < R2 > | .595846 | < 1/R > | 1.893091 | < 1/R**2 > | 5.041591 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.068379 | .33512044 |
| 2 | 2s | 4.236993 | -.82998592 |
| 3 | 3s | 3.558296 | -.29516180 |
| 4 | 4s | 13.787785 | .01123261 |
| 5 | 3s | 15.535216 | .00461965 |
| 6 | 5s | 27.632383 | .00042889 |
| 7 | 5s | 2.573276 | -.00122474 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728148 | < R2 > | .630274 | < 1/R > | 1.991299 | < 1/R**2 > | 16.283998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243816 | .91123749 |
| 2 | 1s | 15.432600 | .08736928 |
| 3 | 2s | 5.657955 | .01835208 |
| 4 | 3s | 7.099577 | -.01928760 |
| 5 | 4s | 9.053064 | .00949758 |
| 6 | 5s | 26.242053 | .00115566 |
| 7 | 4s | 61.799341 | -.00004517 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142632 | < R2 > | .027369 | < 1/R > | 10.617265 | < 1/R**2 > | 227.852934 |
Total Energy= -157.94015260 a.u.
Kinetic Energy= 157.95274128 a.u.
Potential Energy= -315.89289388 a.u.
Virial Ratio = -1.99992030