(1s 2 2s 2 2p 4 4s 1 ) 4 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
1 | 1s | 14.437804 | .10934505 |
2 | 2s | 3.549271 | -1.56774249 |
3 | 3s | 3.589167 | 3.10027235 |
4 | 4s | 2.742441 | -1.98903859 |
5 | 5s | 5.247903 | -.18321658 |
6 | 4s | 15.328037 | -.01370782 |
7 | 5s | 35.348509 | -.00020965 |
8 | 5s | 1.954144 | .00281990 |
9 | 4s | 56.482568 | -.00008091 |
ORB.ENERGY,a.u. | -3.817000 |
NORM | .999999 | < R > | 1.979803 | < R2 > | 4.402861 | < 1/R > | .725629 | < 1/R**2 > | 4.271891 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.511843 | 1.12775177 |
2 | 3p | 7.288501 | -.20449745 |
3 | 2p | 13.629072 | .07260144 |
4 | 4p | 16.161107 | .01098775 |
5 | 5p | 44.985876 | -.00012103 |
6 | 5p | 5.130578 | -.00081995 |
ORB.ENERGY,a.u. | -19.100000 |
NORM | 1.000000 | < R > | .348101 | < R2 > | .147956 | < 1/R > | 3.667976 | < 1/R**2 > | 18.411183 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.560636 | .36103360 |
2 | 2s | 6.762087 | -.78717301 |
3 | 3s | 10.005496 | -.24213258 |
4 | 4s | 8.074621 | -.05620256 |
5 | 5s | 21.405524 | -.00759316 |
6 | 4s | 2.280463 | .01955939 |
7 | 3s | 1.729773 | -.01931962 |
8 | 3s | 88.108532 | -.00001013 |
9 | 5s | 1.782922 | .00259721 |
10 | 4s | 70.440981 | -.00004378 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .393377 | < R2 > | .181903 | < 1/R > | 3.729146 | < 1/R**2 > | 56.743186 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.131957 | .92033922 |
2 | 1s | 24.476314 | .07685457 |
3 | 2s | 9.238227 | .02302735 |
4 | 3s | 11.409629 | -.02539985 |
5 | 4s | 14.484235 | .00991542 |
6 | 5s | 44.015443 | .00065693 |
7 | 4s | 101.054628 | -.00002838 |
8 | 5s | 2.354394 | -.00020210 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085840 | < R2 > | .009885 | < 1/R > | 17.587501 | < 1/R**2 > | 623.007527 |
Total Energy= -476.71072334 a.u.
Kinetic Energy= 476.72239501 a.u.
Potential Energy= -953.43311835 a.u.
Virial Ratio = -1.99997552