(1s 2 2s 2 2p 2 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 3.907613 | 1.11663788 |
| 2 | 3p | 4.910501 | -.16044911 |
| 3 | 2p | 8.968809 | .04089271 |
| 4 | 5p | 11.579944 | .00622373 |
| 5 | 4p | 22.809157 | -.00069985 |
| 6 | 5p | 69.683155 | -.00001696 |
| 7 | 5p | 4.000621 | .01350005 |
| ORB.ENERGY,a.u. | -6.157400 | ||
| NORM | 1.000000 | < R > | .617203 | < R2 > | .466494 | < 1/R > | 2.077287 | < 1/R**2 > | 5.940726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.689060 | .32604943 |
| 2 | 2s | 3.779882 | -.80265331 |
| 3 | 3s | 5.451037 | -.28065958 |
| 4 | 4s | 20.437917 | .00171334 |
| 5 | 5s | 11.424902 | -.01140603 |
| 6 | 5s | 7.118598 | .02887269 |
| 7 | 4s | 3.105927 | .00105094 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .678907 | < R2 > | .542370 | < 1/R > | 2.137795 | < 1/R**2 > | 18.597709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.154696 | .94010124 |
| 2 | 1s | 16.755123 | .07016144 |
| 3 | 2s | 8.720017 | .01470703 |
| 4 | 3s | 17.584984 | -.00805120 |
| 5 | 4s | 13.623795 | -.01553316 |
| 6 | 5s | 31.416419 | .00066254 |
| 7 | 5s | 6.234688 | .00025099 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .142174 | < R2 > | .027150 | < 1/R > | 10.638281 | < 1/R**2 > | 228.542026 |
Total Energy= -148.76973684 a.u.
Kinetic Energy= 148.60256451 a.u.
Potential Energy= -297.37230135 a.u.
Virial Ratio = -2.00112496