(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 S Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 11.795302 | .01605491 |
| 2 | 2p | 5.871515 | .09696556 |
| 3 | 5p | 2.670519 | -.10778689 |
| 4 | 4p | 1.365408 | 1.37421313 |
| 5 | 5p | 1.022407 | -1.61519120 |
| 6 | 3p | 2.813544 | -.36514253 |
| 7 | 4p | 15.756137 | .00172114 |
| ORB.ENERGY,a.u. | -.691620 | ||
| NORM | 1.000000 | < R > | 6.038818 | < R2 > | 40.793037 | < 1/R > | .225592 | < 1/R**2 > | .187446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.220742 | .47311854 |
| 2 | 2p | 2.163118 | -.84902878 |
| 3 | 3p | 2.778340 | -.39234106 |
| 4 | 2p | 10.451153 | .09158056 |
| 5 | 4p | 4.399093 | .05414399 |
| 6 | 3p | 17.984869 | -.00221542 |
| 7 | 5p | .934918 | .00077863 |
| 8 | 5p | 48.404462 | -.00004653 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.343341 | < R2 > | 2.078361 | < 1/R > | .998465 | < 1/R**2 > | 2.183484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.545023 | -.39208480 |
| 2 | 1s | 12.911479 | .21699218 |
| 3 | 1s | 66.370041 | .00008221 |
| 4 | 2s | 5.839422 | -.23703754 |
| 5 | 3s | 3.018232 | 1.06091268 |
| 6 | 4s | 5.360812 | .11531361 |
| 7 | 3s | 39.076682 | -.00053216 |
| 8 | 5s | 2.833456 | .06226238 |
| 9 | 4s | 1.099140 | -.00043451 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269326 | < R2 > | 1.835584 | < 1/R > | 1.079315 | < 1/R**2 > | 6.872307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.180049 | -.01836053 |
| 2 | 2p | 3.806438 | .06678344 |
| 3 | 2p | 15.939653 | .15442100 |
| 4 | 3p | 12.497659 | .42313115 |
| 5 | 4p | 9.799843 | .39671996 |
| 6 | 5p | 7.871287 | .12848715 |
| 7 | 5p | 17.637316 | -.00518839 |
| 8 | 3p | 44.377187 | .00005980 |
| 9 | 3p | 2.398239 | .01040785 |
| 10 | 4p | .572532 | .00004201 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374436 | < R2 > | .173410 | < 1/R > | 3.456480 | < 1/R**2 > | 16.580136 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441173 | .38642914 |
| 2 | 2s | 7.559585 | -.82715127 |
| 3 | 3s | 6.830587 | -.28880913 |
| 4 | 4s | 30.524244 | .00181713 |
| 5 | 3s | 17.128454 | .00827969 |
| 6 | 2s | 2.741873 | -.05794384 |
| 7 | 4s | 3.702254 | .02908943 |
| 8 | 5s | 2.794582 | .00133646 |
| 9 | 5s | 79.468830 | .00001178 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410741 | < R2 > | .199510 | < 1/R > | 3.567714 | < 1/R**2 > | 52.308510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572686 | 1.01064520 |
| 2 | 2s | 23.220711 | -.01614386 |
| 3 | 3s | 14.058586 | .01751153 |
| 4 | 4s | 35.489841 | -.00051516 |
| 5 | 4s | 11.858770 | .00190316 |
| 6 | 5s | 44.517760 | .00039330 |
| 7 | 5s | 15.699724 | -.00472010 |
| 8 | 2s | 30.292127 | -.00325061 |
| 9 | 2s | 68.184218 | .00008512 |
| 10 | 5s | 3.541578 | -.00001138 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009955 | < 1/R > | 17.555703 | < 1/R**2 > | 621.260857 |
Total Energy= -522.18083270 a.u.
Kinetic Energy= 522.19593782 a.u.
Potential Energy= -1044.37677052 a.u.
Virial Ratio = -1.99997107