(1s 2 2s 2 2p 5 5d 1 ) 3 F Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | .478665 | 1.90856103 |
| 2 | 4d | .435071 | -4.76060799 |
| 3 | 5d | .398426 | 3.50705851 |
| 4 | 3d | 1.315665 | .04015141 |
| 5 | 5d | 2.023824 | -.01156510 |
| 6 | 4d | 4.168912 | .00474560 |
| 7 | 5d | 7.596946 | .00028069 |
| 8 | 3d | 5.756356 | .00149504 |
| ORB.ENERGY,a.u. | -.081322 | ||
| NORM | 1.000005 | < R > | 16.905009 | < R2 > | 324.985282 | < 1/R > | .083319 | < 1/R**2 > | .014939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.844069 | 1.39409667 |
| 2 | 3p | 3.464149 | -.49761720 |
| 3 | 2p | 7.694640 | .10333096 |
| 4 | 4p | 8.601107 | .02725666 |
| 5 | 5p | 2.333889 | .03676390 |
| 6 | 4p | 2.102333 | -.04312959 |
| 7 | 5p | 27.495235 | -.00015301 |
| 8 | 4p | 12.128424 | .00102807 |
| ORB.ENERGY,a.u. | -2.466700 | ||
| NORM | 1.000000 | < R > | .738607 | < R2 > | .689163 | < 1/R > | 1.796959 | < 1/R**2 > | 4.610161 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122780 | .32134028 |
| 2 | 2s | 4.161533 | -.81493822 |
| 3 | 3s | 3.306304 | -.31558982 |
| 4 | 4s | 14.764661 | .01143894 |
| 5 | 3s | 19.771132 | .00177970 |
| 6 | 5s | 28.341332 | .00047271 |
| 7 | 5s | 2.262761 | -.02406484 |
| 8 | 4s | 2.020620 | .02865918 |
| 9 | 3s | 53.407671 | -.00000888 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752954 | < R2 > | .677905 | < 1/R > | 1.927152 | < 1/R**2 > | 15.318114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337017 |
| 2 | 1s | 15.492794 | .08642429 |
| 3 | 2s | 5.345923 | .01503948 |
| 4 | 3s | 7.014740 | -.01793807 |
| 5 | 4s | 9.114110 | .01105067 |
| 6 | 5s | 25.925476 | .00104942 |
| 7 | 4s | 58.321619 | -.00005714 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611090 | < 1/R**2 > | 227.652801 |
Total Energy= -160.07892496 a.u.
Kinetic Energy= 160.07871372 a.u.
Potential Energy= -320.15763868 a.u.
Virial Ratio = -2.00000132