(1s 2 2s 2 2p 2 4s 1 ) 4 P Ar 11+
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 | 13.819398 | .13375963 |
2 | 2s | 4.037843 | -1.51998340 |
3 | 3s | 3.606916 | 3.90578167 |
4 | 4s | 3.227383 | -2.88926849 |
5 | 5s | 4.826005 | -.22054694 |
6 | 4s | 13.828135 | -.01559461 |
7 | 5s | 41.329563 | .00026808 |
8 | 5s | 1.631126 | -.00019854 |
ORB.ENERGY,a.u. | -5.148600 |
NORM | 1.000001 | < R > | 1.759425 | < R2 > | 3.477746 | < 1/R > | .826358 | < 1/R**2 > | 5.518692 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.213900 | 1.14421439 |
2 | 3p | 8.266274 | -.16740892 |
3 | 2p | 17.271161 | .01971118 |
4 | 4p | 19.962744 | .00534571 |
5 | 5p | 30.888979 | -.00064587 |
6 | 5p | 7.260161 | -.00236778 |
7 | 4p | 81.153524 | .00002056 |
8 | 3p | 2.507083 | -.00017350 |
ORB.ENERGY,a.u. | -24.503000 |
NORM | 1.000000 | < R > | .328494 | < R2 > | .130765 | < 1/R > | 3.852506 | < 1/R**2 > | 20.106243 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 13.854894 | .44724769 |
2 | 2s | 8.076895 | -.89328385 |
3 | 3s | 7.833979 | -.29503101 |
4 | 4s | 30.549125 | .00186312 |
5 | 3s | 16.219376 | .02010177 |
6 | 5s | 6.151175 | -.00581086 |
7 | 4s | 3.006900 | .00449181 |
ORB.ENERGY,a.u. | -23.662000 |
NORM | 1.000000 | < R > | .378760 | < R2 > | .168012 | < 1/R > | 3.881792 | < 1/R**2 > | 61.085971 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.065152 | .92635926 |
2 | 1s | 25.599744 | .07257961 |
3 | 2s | 15.265011 | .01937526 |
4 | 3s | 19.285554 | -.01588142 |
5 | 5s | 42.289577 | .00071670 |
6 | 4s | 95.799655 | -.00003963 |
7 | 5s | 7.186478 | .00030639 |
8 | 3s | 2.155536 | -.00030200 |
ORB.ENERGY,a.u. | -133.590000 |
NORM | 1.000000 | < R > | .085563 | < R2 > | .009808 | < 1/R > | 17.624000 | < 1/R**2 > | 625.017426 |
Total Energy= -435.51838155 a.u.
Kinetic Energy= 435.53221955 a.u.
Potential Energy= -871.05060110 a.u.
Virial Ratio = -1.99996823