(1s 2 2s 2 2p 2 ) 1 S Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 3.892736 | 1.13065715 |
| 2 | 3p | 5.018219 | -.17877805 |
| 3 | 2p | 8.232747 | .04838153 |
| 4 | 5p | 4.023389 | .02118822 |
| 5 | 4p | 17.371590 | -.00340209 |
| 6 | 5p | 41.265700 | -.00025687 |
| 7 | 5p | 86.064208 | -.00003076 |
| ORB.ENERGY,a.u. | -5.908400 | ||
| NORM | 1.000000 | < R > | .624929 | < R2 > | .479706 | < 1/R > | 2.058990 | < 1/R**2 > | 5.858779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.657981 | .32787590 |
| 2 | 2s | 3.804202 | -.80967300 |
| 3 | 3s | 5.346210 | -.27772239 |
| 4 | 4s | 20.641091 | .00152231 |
| 5 | 5s | 11.610479 | -.01227613 |
| 6 | 5s | 6.828791 | .03404634 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .678470 | < R2 > | .541669 | < 1/R > | 2.139359 | < 1/R**2 > | 18.623653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.154461 | .94010420 |
| 2 | 1s | 16.894150 | .06933201 |
| 3 | 2s | 9.353557 | .01727439 |
| 4 | 3s | 17.152099 | -.00954543 |
| 5 | 4s | 13.789797 | -.01607380 |
| 6 | 5s | 28.665742 | .00073855 |
| 7 | 5s | 7.151677 | .00045720 |
| 8 | 3s | 46.595916 | -.00005183 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .142161 | < R2 > | .027144 | < 1/R > | 10.638881 | < 1/R**2 > | 228.561856 |
Total Energy= -148.76529693 a.u.
Kinetic Energy= 148.35369746 a.u.
Potential Energy= -297.11899439 a.u.
Virial Ratio = -2.00277445