(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 12.103137 | .01140784 |
| 2 | 2p | 5.919433 | .08079549 |
| 3 | 5p | 2.731569 | -.17386215 |
| 4 | 4p | 16.549637 | .00111497 |
| 5 | 4p | 1.275502 | 1.50571501 |
| 6 | 5p | .996810 | -1.73936170 |
| 7 | 3p | 2.954139 | -.26180501 |
| ORB.ENERGY,a.u. | -.672190 | ||
| NORM | 1.000000 | < R > | 6.275656 | < R2 > | 43.957842 | < 1/R > | .208321 | < 1/R**2 > | .135845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 1.039292 | -1.64067430 |
| 2 | 5p | 1.401907 | -.87548598 |
| 3 | 4p | 10.459399 | -.17681335 |
| 4 | 2p | 6.553642 | .51202733 |
| 5 | 4p | 1.230799 | 2.39786231 |
| 6 | 5p | 12.015723 | .05677635 |
| 7 | 3p | 15.921197 | -.02162204 |
| 8 | 3p | 2.839375 | -.91489142 |
| 9 | 4p | 83.990895 | .00000456 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.337068 | < R2 > | 2.071455 | < 1/R > | 1.004011 | < 1/R**2 > | 2.205660 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.544530 | -.39215640 |
| 2 | 1s | 12.911807 | .21699821 |
| 3 | 1s | 66.366922 | .00008211 |
| 4 | 2s | 5.839710 | -.23703098 |
| 5 | 3s | 3.018320 | 1.06095382 |
| 6 | 4s | 5.360688 | .11531811 |
| 7 | 3s | 39.106842 | -.00053113 |
| 8 | 5s | 2.839398 | .06214511 |
| 9 | 4s | 1.245091 | -.00033002 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269165 | < R2 > | 1.835043 | < 1/R > | 1.079424 | < 1/R**2 > | 6.873512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.797787 | -.02297135 |
| 2 | 2p | 3.765724 | .06532182 |
| 3 | 2p | 15.937071 | .15454590 |
| 4 | 3p | 12.497661 | .42329214 |
| 5 | 4p | 9.800197 | .39699376 |
| 6 | 5p | 7.877031 | .12872105 |
| 7 | 5p | 17.666796 | -.00509270 |
| 8 | 3p | 44.715728 | .00005818 |
| 9 | 3p | 2.076388 | .01621269 |
| 10 | 4p | .464265 | -.00003734 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374425 | < R2 > | .173399 | < 1/R > | 3.456544 | < 1/R**2 > | 16.580626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441193 | .38642987 |
| 2 | 2s | 7.559579 | -.82715025 |
| 3 | 3s | 6.830705 | -.28880761 |
| 4 | 4s | 30.526708 | .00181772 |
| 5 | 3s | 17.126708 | .00827962 |
| 6 | 2s | 2.742013 | -.05794211 |
| 7 | 4s | 3.702692 | .02908323 |
| 8 | 5s | 2.790225 | .00133649 |
| 9 | 5s | 79.569099 | .00001177 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410740 | < R2 > | .199509 | < 1/R > | 3.567727 | < 1/R**2 > | 52.308892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572689 | 1.01064507 |
| 2 | 2s | 23.220636 | -.01614371 |
| 3 | 3s | 14.058615 | .01751148 |
| 4 | 4s | 35.489476 | -.00051516 |
| 5 | 4s | 11.858442 | .00190325 |
| 6 | 5s | 44.517760 | .00039330 |
| 7 | 5s | 15.699766 | -.00472008 |
| 8 | 2s | 30.292242 | -.00325063 |
| 9 | 2s | 68.185389 | .00008512 |
| 10 | 5s | 3.542406 | -.00001148 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009955 | < 1/R > | 17.555706 | < 1/R**2 > | 621.261006 |
Total Energy= -522.18107759 a.u.
Kinetic Energy= 522.17651367 a.u.
Potential Energy= -1044.35759127 a.u.
Virial Ratio = -2.00000874