(1s 2 2s 2 2p 5 3p 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.971948 | .14039249 |
| 2 | 3p | .923448 | -.88435358 |
| 3 | 4p | 1.555758 | -.13653381 |
| 4 | 2p | 6.092875 | .05363662 |
| 5 | 5p | 8.068183 | .00597128 |
| 6 | 4p | 18.933111 | -.00059494 |
| 7 | 5p | 55.957752 | -.00002002 |
| 8 | 5p | .714661 | -.00237684 |
| ORB.ENERGY,a.u. | -.367300 | ||
| NORM | 1.000000 | < R > | 3.686453 | < R2 > | 15.579530 | < 1/R > | .342525 | < 1/R**2 > | .245107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.826621 | 1.40840711 |
| 2 | 3p | 3.422684 | -.51573827 |
| 3 | 2p | 7.749797 | .10193882 |
| 4 | 4p | 8.793013 | .02848775 |
| 5 | 5p | 2.078113 | .03400329 |
| 6 | 4p | 1.816152 | -.03672769 |
| 7 | 5p | 25.791086 | -.00031187 |
| 8 | 4p | 17.035776 | .00070570 |
| ORB.ENERGY,a.u. | -2.172200 | ||
| NORM | 1.000000 | < R > | .739445 | < R2 > | .690970 | < 1/R > | 1.795442 | < 1/R**2 > | 4.603491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.132700 | .32046740 |
| 2 | 2s | 4.162880 | -.81215716 |
| 3 | 3s | 3.311644 | -.31741576 |
| 4 | 4s | 14.794547 | .01169645 |
| 5 | 3s | 20.429161 | .00180458 |
| 6 | 5s | 27.960243 | .00052077 |
| 7 | 5s | 2.348088 | -.00567611 |
| 8 | 4s | 2.634783 | .00825277 |
| 9 | 3s | 1.341598 | .00149589 |
| 10 | 2s | 77.206531 | .00000243 |
| 11 | 2s | .477434 | -.00016288 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753885 | < R2 > | .679852 | < 1/R > | 1.925030 | < 1/R**2 > | 15.287271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229740 | .91336946 |
| 2 | 1s | 15.492629 | .08642727 |
| 3 | 2s | 5.350470 | .01504740 |
| 4 | 3s | 7.012077 | -.01794385 |
| 5 | 4s | 9.100604 | .01108044 |
| 6 | 5s | 25.764632 | .00103788 |
| 7 | 4s | 58.548381 | -.00006178 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142779 | < R2 > | .027441 | < 1/R > | 10.610759 | < 1/R**2 > | 227.641816 |
Total Energy= -160.36933373 a.u.
Kinetic Energy= 160.36470173 a.u.
Potential Energy= -320.73403546 a.u.
Virial Ratio = -2.00002888