(1s 2 2s 2 2p 4 4p 1 ) 4 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4.908047 | .12492425 |
| 2 | 3p | 1.210955 | .95797437 |
| 3 | 4p | 1.746635 | -.97554509 |
| 4 | 5p | 3.296849 | -.11713983 |
| 5 | 3p | 8.468276 | -.00647582 |
| 6 | 4p | 1.276044 | -.62161096 |
| 7 | 5p | .988354 | 1.09531798 |
| 8 | 3p | .630224 | .10391692 |
| 9 | 4p | 22.521649 | -.00010504 |
| ORB.ENERGY,a.u. | -.373430 | ||
| NORM | 1.000000 | < R > | 5.750025 | < R2 > | 37.400171 | < 1/R > | .239934 | < 1/R**2 > | .172987 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.193331 | 1.36349449 |
| 2 | 3p | 3.865912 | -.43172990 |
| 3 | 2p | 8.634166 | .06210424 |
| 4 | 4p | 9.867264 | .01839877 |
| 5 | 5p | 26.889429 | .00012828 |
| 6 | 5p | 2.210610 | .02138926 |
| 7 | 4p | 43.499987 | .00004356 |
| 8 | 4p | 1.901570 | -.02211523 |
| 9 | 3p | .532733 | -.00030231 |
| ORB.ENERGY,a.u. | -3.316400 | ||
| NORM | 1.000000 | < R > | .689814 | < R2 > | .592857 | < 1/R > | 1.895136 | < 1/R**2 > | 5.049601 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.077910 | .33452179 |
| 2 | 2s | 4.230601 | -.82861346 |
| 3 | 3s | 3.573101 | -.29409629 |
| 4 | 4s | 13.961894 | .01073255 |
| 5 | 3s | 15.403908 | .00458385 |
| 6 | 5s | 28.758152 | .00033935 |
| 7 | 5s | 3.371977 | -.00207887 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728082 | < R2 > | .629971 | < 1/R > | 1.991034 | < 1/R**2 > | 16.278141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243316 | .91124347 |
| 2 | 1s | 15.433678 | .08736800 |
| 3 | 2s | 5.652182 | .01839106 |
| 4 | 3s | 7.084681 | -.01932940 |
| 5 | 4s | 9.032825 | .00954152 |
| 6 | 5s | 26.159825 | .00113482 |
| 7 | 4s | 61.423414 | -.00004933 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142643 | < R2 > | .027374 | < 1/R > | 10.616765 | < 1/R**2 > | 227.836217 |
Total Energy= -157.79386767 a.u.
Kinetic Energy= 157.79713530 a.u.
Potential Energy= -315.59100297 a.u.
Virial Ratio = -1.99997929