(1s 2 2s 2 2p 1 3p 1 ) 1 S Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 4.083103 | .89693236 |
| 2 | 3p | 4.494735 | -1.85188040 |
| 3 | 2p | 12.008309 | .01646198 |
| 4 | 4p | 9.167541 | .05831603 |
| 5 | 5p | 28.055426 | .00108527 |
| 6 | 5p | 2.957089 | -.00027296 |
| 7 | 4p | 45.620160 | .00010024 |
| ORB.ENERGY,a.u. | -10.335000 | ||
| NORM | 1.000000 | < R > | .902940 | < R2 > | .899131 | < 1/R > | 1.252271 | < 1/R**2 > | 2.024527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.566720 | 1.06413592 |
| 2 | 3p | 4.236434 | -.33409061 |
| 3 | 2p | 13.051413 | .07045521 |
| 4 | 5p | 15.007603 | .01133751 |
| 5 | 4p | 30.993544 | -.00197838 |
| 6 | 5p | 3.820131 | .02135073 |
| 7 | 3p | 38.663304 | -.00035737 |
| 8 | 4p | 2.780230 | -.01269587 |
| 9 | 3p | 2.029960 | .00419025 |
| ORB.ENERGY,a.u. | -26.471000 | ||
| NORM | 1.000000 | < R > | .303599 | < R2 > | .125037 | < 1/R > | 4.238220 | < 1/R**2 > | 23.904739 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.390223 | .38856904 |
| 2 | 2s | 7.006456 | -.81589066 |
| 3 | 3s | 10.038482 | -.28647280 |
| 4 | 4s | 33.505143 | .00118097 |
| 5 | 5s | 19.269883 | -.00799635 |
| 6 | 5s | 7.980986 | .01493864 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372823 | < R2 > | .162621 | < 1/R > | 3.948708 | < 1/R**2 > | 63.029205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.197244 | .94014686 |
| 2 | 1s | 26.560443 | .05641730 |
| 3 | 2s | 16.105784 | .01999332 |
| 4 | 3s | 19.788272 | -.01406379 |
| 5 | 4s | 88.015473 | -.00005804 |
| 6 | 5s | 41.151488 | .00065996 |
| 7 | 4s | 4.215098 | -.00002084 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085433 | < R2 > | .009771 | < 1/R > | 17.641079 | < 1/R**2 > | 625.961385 |
Total Energy= -415.53114693 a.u.
Kinetic Energy= 415.29743851 a.u.
Potential Energy= -830.82858544 a.u.
Virial Ratio = -2.00056275