(1s 2 2s 2 2p 6 3s 1 3p 1 ) 3 P Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 6.650410 | .54382414 |
| 2 | 3p | 9.110971 | -.16531720 |
| 3 | 3p | 2.879758 | -.82154101 |
| 4 | 4p | 13.209993 | .02277892 |
| 5 | 4p | 3.858725 | -.25113416 |
| 6 | 5p | 16.589329 | -.00412825 |
| 7 | 3p | 48.767876 | .00001913 |
| 8 | 5p | 2.140039 | .00052448 |
| ORB.ENERGY,a.u. | -4.028200 | ||
| NORM | 1.000000 | < R > | 1.239091 | < R2 > | 1.758314 | < 1/R > | 1.088295 | < 1/R**2 > | 2.579892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.777812 | -.14207851 |
| 2 | 1s | 4.394322 | .11858277 |
| 3 | 1s | 14.728796 | .13022456 |
| 4 | 2s | 6.469247 | -.54547971 |
| 5 | 3s | 2.983832 | .77101771 |
| 6 | 4s | 4.161820 | .43234059 |
| 7 | 5s | 19.941184 | -.00495556 |
| 8 | 4s | 40.338092 | .00006566 |
| 9 | 3s | 1.428733 | .00184718 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.193067 | < R2 > | 1.612580 | < 1/R > | 1.157644 | < 1/R**2 > | 7.983997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.077901 | .45220035 |
| 2 | 3p | 8.340465 | .47150135 |
| 3 | 5p | 5.336192 | .00737541 |
| 4 | 4p | 6.913274 | .17470649 |
| 5 | 2p | 19.314594 | .00814820 |
| 6 | 5p | 15.086584 | -.00810889 |
| 7 | 3p | 30.018617 | .00013050 |
| 8 | 4p | 35.841910 | -.00017058 |
| 9 | 3p | 5.150508 | -.00437213 |
| 10 | 4p | 1.678053 | .00003380 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .372614 | < R2 > | .171441 | < 1/R > | 3.468915 | < 1/R**2 > | 16.682762 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.409541 | .38838057 |
| 2 | 2s | 7.579149 | -.83329756 |
| 3 | 3s | 6.761299 | -.30245717 |
| 4 | 4s | 30.541339 | .00180492 |
| 5 | 3s | 16.951180 | .00904115 |
| 6 | 2s | 2.747627 | -.02417568 |
| 7 | 4s | 3.470999 | .01126816 |
| 8 | 5s | 80.327413 | .00001088 |
| 9 | 5s | 1.808414 | .00125564 |
| 10 | 3s | 1.350553 | -.00158766 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409900 | < R2 > | .198569 | < 1/R > | 3.574253 | < 1/R**2 > | 52.478545 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586242 | 1.00956540 |
| 2 | 2s | 23.172612 | -.01671558 |
| 3 | 3s | 16.353106 | .01505953 |
| 4 | 4s | 29.473384 | -.00070674 |
| 5 | 4s | 11.536179 | .00461612 |
| 6 | 5s | 43.868183 | .00042002 |
| 7 | 5s | 13.104224 | -.00285389 |
| 8 | 2s | 28.581650 | -.00288094 |
| 9 | 2s | 71.896839 | .00005576 |
| 10 | 4s | 3.170155 | .00001238 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086073 | < R2 > | .009951 | < 1/R > | 17.557321 | < 1/R**2 > | 621.353377 |
Total Energy= -515.14492799 a.u.
Kinetic Energy= 515.22826233 a.u.
Potential Energy= -1030.37319032 a.u.
Virial Ratio = -1.99983826