(1s 2 2s 2 2p 6 4s 1 ) 2 S Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 9.224358 | .02247942 |
| 2 | 2s | 3.594814 | -.07689176 |
| 3 | 3s | .849582 | .48647146 |
| 4 | 4s | .430907 | -1.05595834 |
| 5 | 5s | 2.178241 | .03992481 |
| 6 | 5s | 10.869830 | -.00179722 |
| 7 | 2s | .211355 | -.04015182 |
| 8 | 3s | 42.058411 | -.00001654 |
| ORB.ENERGY,a.u. | -.070165 | ||
| NORM | 1.000001 | < R > | 10.754460 | < R2 > | 131.419251 | < 1/R > | .124716 | < 1/R**2 > | .095945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.844418 | .37000599 |
| 2 | 3p | 4.433974 | .48258148 |
| 3 | 4p | 3.113259 | .16755399 |
| 4 | 5p | 4.339875 | .06804677 |
| 5 | 2p | 12.840315 | .00532241 |
| 6 | 3p | 2.029029 | .07270765 |
| 7 | 5p | 26.313975 | -.00014540 |
| 8 | 4p | 1.700786 | -.00218497 |
| 9 | 2p | 3.372472 | -.00031064 |
| 10 | 5p | .569779 | -.00009349 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796734 | < R2 > | .817201 | < 1/R > | 1.698605 | < 1/R**2 > | 4.195191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.119483 | .31155743 |
| 2 | 2s | 4.295357 | -.73514312 |
| 3 | 3s | 3.378924 | -.37869227 |
| 4 | 4s | 13.344318 | .00764289 |
| 5 | 3s | 13.887544 | .00757572 |
| 6 | 4s | 2.768269 | -.02922340 |
| 7 | 5s | 42.775370 | -.00005619 |
| 8 | 2s | 14.266766 | .00023239 |
| 9 | 3s | 35.072493 | -.00009618 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779101 | < R2 > | .731428 | < 1/R > | 1.867055 | < 1/R**2 > | 14.448300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608180 | 1.01719212 |
| 2 | 2s | 14.003428 | -.03248547 |
| 3 | 3s | 8.618586 | .02560711 |
| 4 | 4s | 56.453249 | -.00002577 |
| 5 | 4s | 20.829135 | .00312032 |
| 6 | 5s | 10.609194 | -.00608807 |
| 7 | 4s | 4.645433 | .00070633 |
| 8 | 3s | 85.797368 | -.00000312 |
| 9 | 5s | 2.104615 | .00000946 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142860 | < R2 > | .027481 | < 1/R > | 10.607325 | < 1/R**2 > | 227.532167 |
Total Energy= -161.74707433 a.u.
Kinetic Energy= 161.74707035 a.u.
Potential Energy= -323.49414468 a.u.
Virial Ratio = -2.00000002