(1s 2 2s 2 2p 4 3p 1 ) 2 S Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3.208246 | .20474793 |
| 2 | 3p | 1.196782 | -.80677871 |
| 3 | 4p | 1.784815 | -.24372498 |
| 4 | 2p | 6.383365 | .06191244 |
| 5 | 5p | 9.003956 | .00566269 |
| 6 | 5p | 24.221074 | -.00045861 |
| 7 | 5p | 1.175251 | .02017391 |
| 8 | 4p | 36.439150 | -.00008932 |
| ORB.ENERGY,a.u. | -.725280 | ||
| NORM | 1.000000 | < R > | 2.839867 | < R2 > | 9.183923 | < 1/R > | .451297 | < 1/R**2 > | .428749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.147476 | 1.31056713 |
| 2 | 3p | 3.737106 | -.39930874 |
| 3 | 2p | 8.172196 | .08055109 |
| 4 | 4p | 9.359534 | .02182961 |
| 5 | 5p | 1.301492 | -.00404165 |
| 6 | 3p | 34.260946 | .00002888 |
| 7 | 4p | 1.078353 | .00323426 |
| ORB.ENERGY,a.u. | -3.069200 | ||
| NORM | 1.000000 | < R > | .689468 | < R2 > | .591925 | < 1/R > | 1.895404 | < 1/R**2 > | 5.050050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.078799 | .33400425 |
| 2 | 2s | 4.228165 | -.82898274 |
| 3 | 3s | 3.557045 | -.29476757 |
| 4 | 4s | 13.834579 | .01116608 |
| 5 | 3s | 15.738655 | .00446348 |
| 6 | 5s | 27.193578 | .00042351 |
| 7 | 5s | 2.630305 | -.00194029 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .729227 | < R2 > | .632257 | < 1/R > | 1.988190 | < 1/R**2 > | 16.235605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.242894 | .91124922 |
| 2 | 1s | 15.434228 | .08736504 |
| 3 | 2s | 5.648377 | .01843347 |
| 4 | 3s | 7.070963 | -.01936846 |
| 5 | 4s | 9.010932 | .00958768 |
| 6 | 5s | 26.038028 | .00111191 |
| 7 | 4s | 61.083701 | -.00005503 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142654 | < R2 > | .027379 | < 1/R > | 10.616253 | < 1/R**2 > | 227.819217 |
Total Energy= -158.16398103 a.u.
Kinetic Energy= 158.14892336 a.u.
Potential Energy= -316.31290439 a.u.
Virial Ratio = -2.00009521