(1s 2 2s 2 2p 4 5p 1 ) 2 S Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 2.863501 | .08113817 |
| 2 | 3p | 1.104886 | -1.15706429 |
| 3 | 4p | .732970 | 2.81112844 |
| 4 | 5p | .672181 | -3.04299651 |
| 5 | 2p | 5.738016 | .03871632 |
| 6 | 5p | 14.612485 | -.00122157 |
| 7 | 4p | 21.890032 | -.00040919 |
| 8 | 2p | .493100 | .56167931 |
| ORB.ENERGY,a.u. | -.220760 | ||
| NORM | .999993 | < R > | 9.895454 | < R2 > | 110.125470 | < 1/R > | .142170 | < 1/R**2 > | .074444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.213237 | 1.32161551 |
| 2 | 3p | 3.879415 | -.39566907 |
| 3 | 2p | 8.521550 | .06612661 |
| 4 | 4p | 9.681973 | .01985502 |
| 5 | 5p | 23.668335 | .00015728 |
| 6 | 5p | 2.672092 | .00202639 |
| 7 | 4p | 40.829359 | .00004768 |
| 8 | 4p | .415647 | -.00662299 |
| 9 | 3p | .333708 | .00606774 |
| ORB.ENERGY,a.u. | -3.408200 | ||
| NORM | 1.000000 | < R > | .689185 | < R2 > | .591633 | < 1/R > | 1.896308 | < 1/R**2 > | 5.054703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.074380 | .33486489 |
| 2 | 2s | 4.232731 | -.82957121 |
| 3 | 3s | 3.564995 | -.29485771 |
| 4 | 4s | 13.921909 | .01106899 |
| 5 | 3s | 15.599730 | .00445560 |
| 6 | 5s | 28.333799 | .00037047 |
| 7 | 5s | 2.688850 | -.00040659 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727719 | < R2 > | .629252 | < 1/R > | 1.991929 | < 1/R**2 > | 16.291463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243441 | .91124283 |
| 2 | 1s | 15.433648 | .08736707 |
| 3 | 2s | 5.654212 | .01837892 |
| 4 | 3s | 7.090005 | -.01931453 |
| 5 | 4s | 9.039713 | .00952638 |
| 6 | 5s | 26.195477 | .00114145 |
| 7 | 4s | 61.529535 | -.00004761 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142640 | < R2 > | .027372 | < 1/R > | 10.616913 | < 1/R**2 > | 227.841163 |
Total Energy= -157.64659216 a.u.
Kinetic Energy= 157.64447829 a.u.
Potential Energy= -315.29107045 a.u.
Virial Ratio = -2.00001341