(1s 2 2s 2 2p 5 4p 1 ) 1 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 4.394585 | .12227068 |
| 2 | 5p | .715391 | 2.36880555 |
| 3 | 4p | 1.375111 | -.72123923 |
| 4 | 5p | 2.698085 | -.11168371 |
| 5 | 3p | 10.932498 | -.00368396 |
| 6 | 4p | .454922 | -2.08190258 |
| 7 | 4p | 7.743959 | -.01246493 |
| 8 | 3p | .713223 | .39381446 |
| 9 | 5p | .276523 | .00463250 |
| ORB.ENERGY,a.u. | -.177940 | ||
| NORM | .999996 | < R > | 8.713320 | < R2 > | 102.673859 | < 1/R > | .192835 | < 1/R**2 > | .115918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.933346 | 1.40819428 |
| 2 | 3p | 3.594096 | -.49677141 |
| 3 | 2p | 8.013441 | .08460237 |
| 4 | 4p | 9.199377 | .02191126 |
| 5 | 5p | .814393 | .05603307 |
| 6 | 4p | 1.124783 | -.01373594 |
| 7 | 3p | .244209 | -.08325924 |
| 8 | 5p | .303444 | .04769937 |
| 9 | 4p | 36.439442 | .00002066 |
| 10 | 5p | 32.270459 | -.00005520 |
| ORB.ENERGY,a.u. | -2.371800 | ||
| NORM | 1.000000 | < R > | .740487 | < R2 > | .780333 | < 1/R > | 1.803767 | < 1/R**2 > | 4.638368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122057 | .32139460 |
| 2 | 2s | 4.174635 | -.81007543 |
| 3 | 3s | 3.320896 | -.32113653 |
| 4 | 4s | 14.638678 | .01138006 |
| 5 | 3s | 18.494410 | .00225766 |
| 6 | 5s | 29.294247 | .00036153 |
| 7 | 5s | 2.361700 | -.00518497 |
| 8 | 4s | 2.687093 | .00836807 |
| 9 | 3s | 1.485673 | .00208547 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752911 | < R2 > | .677817 | < 1/R > | 1.927245 | < 1/R**2 > | 15.319334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337155 |
| 2 | 1s | 15.493172 | .08642233 |
| 3 | 2s | 5.346900 | .01503594 |
| 4 | 3s | 7.015780 | -.01793502 |
| 5 | 4s | 9.115139 | .01104836 |
| 6 | 5s | 25.952362 | .00105013 |
| 7 | 4s | 58.240316 | -.00005626 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142771 | < R2 > | .027437 | < 1/R > | 10.611124 | < 1/R**2 > | 227.653950 |
Total Energy= -160.10981250 a.u.
Kinetic Energy= 160.56608522 a.u.
Potential Energy= -320.67589772 a.u.
Virial Ratio = -1.99715835