(1s 2 2s 2 2p 5 3p 1 ) 3 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 3p- electron | |
| 1 | 2p | 3.059937 | .26393229 |
| 2 | 3p | 1.104190 | -.91139237 |
| 3 | 4p | 4.509680 | -.04870763 |
| 4 | 2p | 7.611913 | .02735945 |
| 5 | 5p | 11.246285 | .00248990 |
| 6 | 5p | 1.054547 | -.14168647 |
| 7 | 4p | 25.913429 | -.00008472 |
| ORB.ENERGY,a.u. | -.393810 | ||
| NORM | 1.000000 | < R > | 3.440547 | < R2 > | 13.667056 | < 1/R > | .380512 | < 1/R**2 > | .329232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.735098 | 1.37632354 |
| 2 | 3p | 3.260695 | -.51169415 |
| 3 | 2p | 7.277304 | .13191223 |
| 4 | 4p | 8.181601 | .03003583 |
| 5 | 5p | 1.898534 | .01290608 |
| 6 | 4p | 20.499294 | -.00067495 |
| 7 | 4p | .916104 | .00175506 |
| 8 | 3p | 1.593593 | -.01429758 |
| 9 | 3p | 30.794903 | -.00003861 |
| ORB.ENERGY,a.u. | -2.198700 | ||
| NORM | 1.000000 | < R > | .742541 | < R2 > | .699120 | < 1/R > | 1.791462 | < 1/R**2 > | 4.588212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.130828 | .32054916 |
| 2 | 2s | 4.160442 | -.81361113 |
| 3 | 3s | 3.303069 | -.31714568 |
| 4 | 4s | 14.723385 | .01153767 |
| 5 | 3s | 19.530029 | .00203017 |
| 6 | 5s | 28.138552 | .00043502 |
| 7 | 5s | 2.436824 | -.00726503 |
| 8 | 4s | 2.628823 | .01067265 |
| 9 | 3s | 1.537504 | .00146896 |
| 10 | 2s | 76.657551 | .00000200 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .754017 | < R2 > | .680198 | < 1/R > | 1.924872 | < 1/R**2 > | 15.285627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229740 | .91337005 |
| 2 | 1s | 15.492794 | .08642642 |
| 3 | 2s | 5.351715 | .01504384 |
| 4 | 3s | 7.012678 | -.01794216 |
| 5 | 4s | 9.100955 | .01107945 |
| 6 | 5s | 25.773349 | .00103811 |
| 7 | 4s | 58.529387 | -.00006144 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142779 | < R2 > | .027440 | < 1/R > | 10.610776 | < 1/R**2 > | 227.642348 |
Total Energy= -160.36659478 a.u.
Kinetic Energy= 160.39120168 a.u.
Potential Energy= -320.75779646 a.u.
Virial Ratio = -1.99984658