(1s 2 2s 2 2p 1 3p 1 ) 1 P Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 6.109345 | .75026492 |
2 | 3p | 4.501417 | -1.39816085 |
3 | 2p | 12.509425 | .05327845 |
4 | 4p | 15.456957 | .01065950 |
5 | 5p | 4.090665 | .01831149 |
6 | 4p | 3.494533 | -.01134730 |
7 | 5p | 46.390332 | -.00008729 |
ORB.ENERGY,a.u. | -10.390000 |
NORM | 1.000000 | < R > | .873978 | < R2 > | .875906 | < 1/R > | 1.568836 | < 1/R**2 > | 5.050553 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.632432 | 1.08055335 |
2 | 3p | 9.056173 | -.09354480 |
3 | 2p | 18.646464 | .01155055 |
4 | 5p | 23.253055 | .00219700 |
5 | 5p | 8.089949 | .00158777 |
ORB.ENERGY,a.u. | -26.526000 |
NORM | 1.000000 | < R > | .319789 | < R2 > | .123596 | < 1/R > | 3.944545 | < 1/R**2 > | 20.996759 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.392114 | .38842737 |
2 | 2s | 7.004283 | -.81579942 |
3 | 3s | 10.039658 | -.28639507 |
4 | 4s | 33.481029 | .00117314 |
5 | 5s | 19.294497 | -.00802424 |
6 | 5s | 7.971548 | .01486810 |
ORB.ENERGY,a.u. | -26.841000 |
NORM | 1.000000 | < R > | .372883 | < R2 > | .162677 | < 1/R > | 3.948016 | < 1/R**2 > | 63.008265 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.199385 | .93997445 |
2 | 1s | 26.578005 | .05635630 |
3 | 2s | 16.238461 | .02007791 |
4 | 3s | 19.955576 | -.01395404 |
5 | 4s | 92.165178 | -.00004831 |
6 | 5s | 41.231817 | .00075142 |
7 | 4s | 3.784852 | -.00001978 |
ORB.ENERGY,a.u. | -137.760000 |
NORM | 1.000000 | < R > | .085434 | < R2 > | .009771 | < 1/R > | 17.640979 | < 1/R**2 > | 625.955546 |
Total Energy= -415.44734221 a.u.
Kinetic Energy= 415.58591414 a.u.
Potential Energy= -831.03325635 a.u.
Virial Ratio = -1.99966656