(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.366645 | .54907490 |
| 2 | 4d | .945631 | -2.49075160 |
| 3 | 5d | .843726 | 2.51187991 |
| 4 | 3d | 2.898239 | .18464424 |
| 5 | 4d | 3.581167 | -.05784629 |
| 6 | 5d | 6.102188 | .01984094 |
| 7 | 3d | 7.090277 | .01553154 |
| ORB.ENERGY,a.u. | -.562090 | ||
| NORM | .999996 | < R > | 7.581458 | < R2 > | 65.858273 | < 1/R > | .198570 | < 1/R**2 > | .104562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.210734 | .47426468 |
| 2 | 2p | 2.168275 | -.85259579 |
| 3 | 3p | 2.755800 | -.39672438 |
| 4 | 2p | 10.441545 | .09172252 |
| 5 | 4p | 4.300643 | .06042914 |
| 6 | 3p | 17.886163 | -.00224623 |
| 7 | 5p | 1.471266 | .00039832 |
| 8 | 5p | 48.588105 | -.00004855 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.346322 | < R2 > | 2.087628 | < 1/R > | .996069 | < 1/R**2 > | 2.173542 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.159211 | -.40282825 |
| 2 | 1s | 13.007573 | .20692196 |
| 3 | 1s | 68.234252 | .00007361 |
| 4 | 2s | 6.238521 | -.22874193 |
| 5 | 3s | 2.958699 | 1.05962588 |
| 6 | 4s | 5.132714 | .15748442 |
| 7 | 3s | 39.560190 | -.00051452 |
| 8 | 5s | 2.758435 | .03861285 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.270122 | < R2 > | 1.837797 | < 1/R > | 1.078411 | < 1/R**2 > | 6.859023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.962528 | -.02064514 |
| 2 | 2p | 3.788946 | .06600643 |
| 3 | 2p | 15.936951 | .15452018 |
| 4 | 3p | 12.497729 | .42314294 |
| 5 | 4p | 9.798709 | .39687009 |
| 6 | 5p | 7.871866 | .12840600 |
| 7 | 5p | 17.655900 | -.00508220 |
| 8 | 3p | 44.673106 | .00005817 |
| 9 | 3p | 2.228102 | .01360257 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374455 | < R2 > | .173443 | < 1/R > | 3.456484 | < 1/R**2 > | 16.580637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440871 | .38646897 |
| 2 | 2s | 7.560155 | -.82715849 |
| 3 | 3s | 6.830365 | -.28882164 |
| 4 | 4s | 30.528287 | .00179945 |
| 5 | 3s | 17.174583 | .00825830 |
| 6 | 2s | 2.743481 | -.05786282 |
| 7 | 4s | 3.700980 | .02911474 |
| 8 | 5s | 2.738411 | .00122107 |
| 9 | 5s | 79.746416 | .00001059 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410718 | < R2 > | .199489 | < 1/R > | 3.567957 | < 1/R**2 > | 52.315288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572813 | 1.01064319 |
| 2 | 2s | 23.214592 | -.01614127 |
| 3 | 3s | 14.062483 | .01750565 |
| 4 | 4s | 35.477166 | -.00051504 |
| 5 | 4s | 11.846177 | .00190646 |
| 6 | 5s | 44.519023 | .00039358 |
| 7 | 5s | 15.702093 | -.00471959 |
| 8 | 2s | 30.300247 | -.00325193 |
| 9 | 2s | 68.231930 | .00008500 |
| 10 | 5s | 3.525653 | -.00001117 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555875 | < 1/R**2 > | 621.270444 |
Total Energy= -522.08526975 a.u.
Kinetic Energy= 522.06682442 a.u.
Potential Energy= -1044.15209417 a.u.
Virial Ratio = -2.00003533