(1s 2 2s 1 5s 1 ) 3 S Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 7.088409 | .11666940 |
| 2 | 2s | 1.509293 | -4.64060331 |
| 3 | 3s | 2.086513 | 7.05862573 |
| 4 | 4s | 1.725190 | -6.92768984 |
| 5 | 5s | 1.648559 | 5.45028450 |
| 6 | 5s | 8.334904 | -.00487772 |
| 7 | 1s | 17.134683 | .00260089 |
| 8 | 4s | 34.016642 | -.00012172 |
| 9 | 5s | .887066 | -.00101651 |
| 10 | 5s | 107.236492 | -.00000395 |
| ORB.ENERGY,a.u. | -1.373900 | ||
| NORM | .999999 | < R > | 4.377753 | < R2 > | 21.445135 | < 1/R > | .333564 | < 1/R**2 > | 1.093686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.173486 | .39525741 |
| 2 | 2s | 4.561988 | -.77926275 |
| 3 | 3s | 5.414044 | -.30294601 |
| 4 | 5s | 9.414174 | -.03195595 |
| 5 | 4s | 19.111330 | .00913997 |
| 6 | 5s | 25.240410 | -.00244231 |
| 7 | 4s | 66.127144 | .00003190 |
| ORB.ENERGY,a.u. | -10.717000 | ||
| NORM | 1.000000 | < R > | .616981 | < R2 > | .443966 | < 1/R > | 2.375036 | < 1/R**2 > | 22.769355 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.450842 | .94273337 |
| 2 | 1s | 17.070046 | .04955032 |
| 3 | 2s | 12.292961 | .01217103 |
| 4 | 3s | 7.765624 | .00234993 |
| 5 | 4s | 40.697920 | -.00074117 |
| 6 | 5s | 51.761841 | .00022987 |
| 7 | 5s | 3.355323 | .00011854 |
| 8 | 3s | 73.306748 | -.00002356 |
| 9 | 4s | .779822 | -.00012408 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141428 | < R2 > | .026811 | < 1/R > | 10.675440 | < 1/R**2 > | 229.803637 |
Total Energy= -126.60120847 a.u.
Kinetic Energy= 126.60559713 a.u.
Potential Energy= -253.20680560 a.u.
Virial Ratio = -1.99996534