(1s 2 2s 2 2p 5 4p 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4.094265 | .12378144 |
| 2 | 3p | .445141 | 1.95465348 |
| 3 | 4p | 1.176609 | -.52333969 |
| 4 | 5p | 2.305578 | -.09241697 |
| 5 | 3p | 5.725819 | -.02762537 |
| 6 | 5p | .521533 | -.77205493 |
| 7 | 4p | 15.870807 | -.00059193 |
| 8 | 3p | .717612 | -.61052064 |
| 9 | 4p | .541495 | .36692567 |
| 10 | 3p | 21.615065 | -.00009241 |
| ORB.ENERGY,a.u. | -.177940 | ||
| NORM | 1.000002 | < R > | 8.002138 | < R2 > | 72.583110 | < 1/R > | .169523 | < 1/R**2 > | .084070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.833349 | 1.39707102 |
| 2 | 3p | 3.452098 | -.50262292 |
| 3 | 2p | 7.678119 | .10471763 |
| 4 | 4p | 8.422711 | .02800607 |
| 5 | 5p | 2.204210 | .05090144 |
| 6 | 4p | 1.943779 | -.05825636 |
| 7 | 5p | 14.262489 | .00179826 |
| 8 | 3p | .599896 | .00065800 |
| ORB.ENERGY,a.u. | -2.371800 | ||
| NORM | 1.000000 | < R > | .738817 | < R2 > | .689590 | < 1/R > | 1.796534 | < 1/R**2 > | 4.608225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.123498 | .32118992 |
| 2 | 2s | 4.170113 | -.81125262 |
| 3 | 3s | 3.313896 | -.32019276 |
| 4 | 4s | 14.619055 | .01122895 |
| 5 | 3s | 18.177879 | .00237259 |
| 6 | 5s | 29.475080 | .00033461 |
| 7 | 5s | 2.343890 | -.00668262 |
| 8 | 4s | 2.649845 | .00895888 |
| 9 | 3s | 1.512817 | .00324319 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753247 | < R2 > | .678504 | < 1/R > | 1.926459 | < 1/R**2 > | 15.307961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229865 | .91337159 |
| 2 | 1s | 15.493172 | .08642338 |
| 3 | 2s | 5.347415 | .01504162 |
| 4 | 3s | 7.014133 | -.01793838 |
| 5 | 4s | 9.110008 | .01105944 |
| 6 | 5s | 25.883765 | .00104595 |
| 7 | 4s | 58.386941 | -.00005798 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142774 | < R2 > | .027439 | < 1/R > | 10.610968 | < 1/R**2 > | 227.648744 |
Total Energy= -160.17668530 a.u.
Kinetic Energy= 160.17532287 a.u.
Potential Energy= -320.35200817 a.u.
Virial Ratio = -2.00000851