(1s 2 2s 2 5s 1 ) 2 S Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 8.930906 | .07991711 |
| 2 | 2s | 1.926308 | -1.48837038 |
| 3 | 3s | 1.714471 | 6.55319939 |
| 4 | 4s | 1.727619 | -7.76775925 |
| 5 | 5s | 1.425153 | 3.21959970 |
| 6 | 5s | 12.358280 | -.00581406 |
| 7 | 4s | 6.352402 | -.04688574 |
| 8 | 5s | 1.148614 | -.08866142 |
| 9 | 3s | 7.321457 | -.00853953 |
| 10 | 4s | .621960 | .00171035 |
| ORB.ENERGY,a.u. | -1.091800 | ||
| NORM | 1.000000 | < R > | 4.821580 | < R2 > | 26.012959 | < 1/R > | .300596 | < 1/R**2 > | .886182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.398055 | .36599837 |
| 2 | 2s | 4.246532 | -.78464769 |
| 3 | 3s | 5.473672 | -.28361779 |
| 4 | 5s | 10.452944 | -.02277137 |
| 5 | 4s | 21.375364 | .00398760 |
| 6 | 5s | 30.611477 | -.00074887 |
| 7 | 4s | 2.120126 | .00036488 |
| 8 | 4s | 1.134262 | -.00017553 |
| ORB.ENERGY,a.u. | -9.288900 | ||
| NORM | 1.000000 | < R > | .636165 | < R2 > | .473162 | < 1/R > | 2.290342 | < 1/R**2 > | 21.151433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.348145 | .94532906 |
| 2 | 1s | 17.434432 | .05306399 |
| 3 | 2s | 10.635769 | .01979565 |
| 4 | 3s | 12.873004 | -.01571714 |
| 5 | 5s | 23.780039 | .00148905 |
| 6 | 4s | 54.488171 | -.00009860 |
| ORB.ENERGY,a.u. | -49.601000 |
| NORM | 1.000000 | < R > | .141463 | < R2 > | .026819 | < 1/R > | 10.672138 | < 1/R**2 > | 229.665605 |
Total Energy= -135.87939967 a.u.
Kinetic Energy= 135.87940536 a.u.
Potential Energy= -271.75880502 a.u.
Virial Ratio = -1.99999996