(1s 2 2s 2 2p 4 4p 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4.204820 | .12081021 |
| 2 | 3p | .657935 | 1.85358033 |
| 3 | 4p | 1.392871 | -1.19221269 |
| 4 | 5p | 2.616316 | -.14779899 |
| 5 | 3p | 5.955938 | -.02442717 |
| 6 | 5p | .635476 | -.43969083 |
| 7 | 4p | 17.438363 | -.00042206 |
| 8 | 4p | .446186 | .29928111 |
| 9 | 5p | 50.064412 | -.00001691 |
| 10 | 5p | .443321 | -.10478107 |
| ORB.ENERGY,a.u. | -.357360 | ||
| NORM | 1.000001 | < R > | 6.037027 | < R2 > | 41.080193 | < 1/R > | .216195 | < 1/R**2 > | .108277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.271890 | 1.35620310 |
| 2 | 3p | 4.016662 | -.41243587 |
| 3 | 2p | 9.653170 | .04221255 |
| 4 | 4p | 10.346350 | .02189226 |
| 5 | 5p | 1.288275 | .00932367 |
| 6 | 4p | 1.225118 | -.04087985 |
| 7 | 3p | 13.340315 | .00324557 |
| 8 | 3p | 33.351578 | .00002501 |
| 9 | 3p | .786586 | .03995166 |
| ORB.ENERGY,a.u. | -3.300300 | ||
| NORM | 1.000000 | < R > | .688250 | < R2 > | .595870 | < 1/R > | 1.898808 | < 1/R**2 > | 5.064065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.076469 | .33461711 |
| 2 | 2s | 4.230526 | -.82933356 |
| 3 | 3s | 3.564396 | -.29469258 |
| 4 | 4s | 13.949608 | .01089774 |
| 5 | 3s | 15.510629 | .00449797 |
| 6 | 5s | 28.598993 | .00035300 |
| 7 | 5s | 2.778734 | -.00063413 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727998 | < R2 > | .629777 | < 1/R > | 1.991163 | < 1/R**2 > | 16.279632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243316 | .91124743 |
| 2 | 1s | 15.433974 | .08736459 |
| 3 | 2s | 5.652484 | .01838870 |
| 4 | 3s | 7.086289 | -.01932443 |
| 5 | 4s | 9.033683 | .00953932 |
| 6 | 5s | 26.172759 | .00113549 |
| 7 | 4s | 61.423247 | -.00004877 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142643 | < R2 > | .027374 | < 1/R > | 10.616785 | < 1/R**2 > | 227.836947 |
Total Energy= -157.79018199 a.u.
Kinetic Energy= 157.78106144 a.u.
Potential Energy= -315.57124343 a.u.
Virial Ratio = -2.00005781