(1s 2 2s 2 2p 5 4p 1 ) 1 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
1 | 2p | 8.802760 | .19264875 |
2 | 3p | 1.929791 | 2.18178105 |
3 | 4p | 3.658126 | -1.58499238 |
4 | 5p | 6.540023 | -.16245912 |
5 | 3p | 18.406700 | -.00198886 |
6 | 5p | 1.831884 | -.31562697 |
7 | 4p | 1.344082 | .15660073 |
8 | 3p | .828889 | -.05363440 |
9 | 4p | .789635 | .01472772 |
ORB.ENERGY,a.u. | -2.940500 |
NORM | .999999 | < R > | 2.200162 | < R2 > | 5.475469 | < 1/R > | .642002 | < 1/R**2 > | 1.200008 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.379797 | 1.17497746 |
2 | 3p | 7.515788 | -.23748987 |
3 | 2p | 13.908363 | .06244569 |
4 | 4p | 16.911982 | .00817321 |
5 | 5p | 42.653311 | -.00013541 |
6 | 5p | 4.000684 | .00031862 |
ORB.ENERGY,a.u. | -16.938000 |
NORM | 1.000000 | < R > | .359086 | < R2 > | .158163 | < 1/R > | 3.574599 | < 1/R**2 > | 17.588368 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.304153 | .40145292 |
2 | 2s | 7.697612 | -.84506742 |
3 | 3s | 7.147258 | -.30479014 |
4 | 4s | 12.896528 | .00440440 |
5 | 3s | 17.662226 | .01196982 |
6 | 5s | 38.566435 | .00070918 |
7 | 5s | 7.248227 | -.01295830 |
8 | 4s | 2.424420 | .00016058 |
9 | 3s | 74.103985 | -.00002588 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .400993 | < R2 > | .189400 | < 1/R > | 3.654722 | < 1/R**2 > | 54.668827 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.189473 | .93087915 |
2 | 1s | 25.214209 | .06450796 |
3 | 2s | 10.901541 | .02180077 |
4 | 3s | 13.400272 | -.02194531 |
5 | 4s | 16.561250 | .01072929 |
6 | 5s | 42.918017 | .00063127 |
7 | 4s | 94.858625 | -.00003700 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085963 | < R2 > | .009920 | < 1/R > | 17.571600 | < 1/R**2 > | 622.138042 |
Total Energy= -493.42628492 a.u.
Kinetic Energy= 493.41729139 a.u.
Potential Energy= -986.84357631 a.u.
Virial Ratio = -2.00001823