(1s 2 2s 2 2p 4 3p 1 ) 2 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 5.895278 | .47751044 |
| 2 | 3p | 3.700282 | -.95016091 |
| 3 | 4p | 4.131263 | -.23177212 |
| 4 | 2p | 11.312562 | .08315751 |
| 5 | 5p | 19.129509 | .00230644 |
| 6 | 5p | 47.300626 | -.00018557 |
| 7 | 4p | 71.942485 | -.00003034 |
| 8 | 5p | 3.507961 | -.00912825 |
| ORB.ENERGY,a.u. | -6.629300 | ||
| NORM | 1.000000 | < R > | 1.051709 | < R2 > | 1.263859 | < 1/R > | 1.286290 | < 1/R**2 > | 3.488813 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.489510 | 1.11291527 |
| 2 | 3p | 7.232248 | -.19879952 |
| 3 | 2p | 13.539450 | .07749247 |
| 4 | 4p | 16.899893 | .01224330 |
| 5 | 5p | 13.695720 | .00469205 |
| 6 | 5p | 4.885088 | -.00195074 |
| 7 | 3p | 45.613868 | .00005126 |
| ORB.ENERGY,a.u. | -18.520000 | ||
| NORM | 1.000000 | < R > | .348129 | < R2 > | .147911 | < 1/R > | 3.666706 | < 1/R**2 > | 18.396981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.201681 | .41316057 |
| 2 | 2s | 7.788175 | -.85898695 |
| 3 | 3s | 7.376431 | -.30012917 |
| 4 | 4s | 12.551532 | .00443605 |
| 5 | 3s | 17.252034 | .01451653 |
| 6 | 5s | 39.147375 | .00068016 |
| 7 | 5s | 7.014545 | -.01113396 |
| 8 | 4s | 4.741588 | -.00015590 |
| 9 | 3s | 73.189689 | -.00002422 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .394255 | < R2 > | .182798 | < 1/R > | 3.720862 | < 1/R**2 > | 56.512340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.133092 | .92054196 |
| 2 | 1s | 24.671958 | .07567816 |
| 3 | 2s | 11.465149 | .01989926 |
| 4 | 3s | 13.808776 | -.02000461 |
| 5 | 4s | 16.453137 | .00908555 |
| 6 | 5s | 43.828627 | .00069480 |
| 7 | 4s | 102.397536 | -.00002701 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085862 | < R2 > | .009891 | < 1/R > | 17.584428 | < 1/R**2 > | 622.838554 |
Total Energy= -479.55757080 a.u.
Kinetic Energy= 479.53699149 a.u.
Potential Energy= -959.09456228 a.u.
Virial Ratio = -2.00004291