(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p | 2.727999 | -.19544670 |
| 2 | 4p | 17.196118 | .00092242 |
| 3 | 4p | 1.240779 | 1.56295822 |
| 4 | 5p | .986902 | -1.79747548 |
| 5 | 3p | 3.039032 | -.23222447 |
| 6 | 2p | 12.313936 | .00994247 |
| 7 | 2p | 5.956299 | .07778909 |
| ORB.ENERGY,a.u. | -.664380 | ||
| NORM | 1.000000 | < R > | 6.373068 | < R2 > | 45.304460 | < 1/R > | .203466 | < 1/R**2 > | .125116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 1.037911 | -1.64349085 |
| 2 | 5p | 1.403656 | -.87305726 |
| 3 | 4p | 10.457370 | -.17757737 |
| 4 | 2p | 6.553369 | .51315939 |
| 5 | 4p | 1.231192 | 2.40259839 |
| 6 | 5p | 12.015428 | .05704927 |
| 7 | 3p | 15.928795 | -.02173931 |
| 8 | 3p | 2.838870 | -.91724484 |
| 9 | 4p | .663799 | -.00228612 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000001 | < R > | 1.335580 | < R2 > | 2.069408 | < 1/R > | 1.005336 | < 1/R**2 > | 2.211302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.544341 | -.39218353 |
| 2 | 1s | 12.911918 | .21700120 |
| 3 | 1s | 66.366388 | .00008210 |
| 4 | 2s | 5.839822 | -.23703044 |
| 5 | 3s | 3.018382 | 1.06097377 |
| 6 | 4s | 5.360371 | .11531838 |
| 7 | 3s | 39.108769 | -.00053094 |
| 8 | 5s | 2.841011 | .06210818 |
| 9 | 4s | 1.270886 | -.00031598 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269107 | < R2 > | 1.834850 | < 1/R > | 1.079467 | < 1/R**2 > | 6.874021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.945717 | -.02078967 |
| 2 | 2p | 3.796172 | .06605305 |
| 3 | 2p | 15.937246 | .15449355 |
| 4 | 3p | 12.497688 | .42309292 |
| 5 | 4p | 9.798851 | .39681735 |
| 6 | 5p | 7.872343 | .12838169 |
| 7 | 5p | 17.664749 | -.00509408 |
| 8 | 3p | 44.729695 | .00005812 |
| 9 | 3p | 2.211582 | .01375787 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374433 | < R2 > | .173407 | < 1/R > | 3.456503 | < 1/R**2 > | 16.580324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441199 | .38642964 |
| 2 | 2s | 7.559573 | -.82715017 |
| 3 | 3s | 6.830729 | -.28880633 |
| 4 | 4s | 30.528144 | .00181682 |
| 5 | 3s | 17.127324 | .00828002 |
| 6 | 2s | 2.741910 | -.05794329 |
| 7 | 4s | 3.702396 | .02908748 |
| 8 | 5s | 2.787082 | .00133159 |
| 9 | 5s | 79.528998 | .00001170 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410740 | < R2 > | .199509 | < 1/R > | 3.567727 | < 1/R**2 > | 52.308898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572689 | 1.01064510 |
| 2 | 2s | 23.220609 | -.01614373 |
| 3 | 3s | 14.058626 | .01751147 |
| 4 | 4s | 35.489368 | -.00051516 |
| 5 | 4s | 11.858377 | .00190327 |
| 6 | 5s | 44.517769 | .00039331 |
| 7 | 5s | 15.699757 | -.00472010 |
| 8 | 2s | 30.292289 | -.00325064 |
| 9 | 2s | 68.184778 | .00008512 |
| 10 | 5s | 3.542377 | -.00001151 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009955 | < 1/R > | 17.555707 | < 1/R**2 > | 621.261037 |
Total Energy= -522.18045094 a.u.
Kinetic Energy= 522.16872973 a.u.
Potential Energy= -1044.34918067 a.u.
Virial Ratio = -2.00002245