(1s 2 2s 2 2p 6 3s 2 4s 1 ) 2 S Ar 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 14.351266 | .07589191 |
| 2 | 2s | 5.841118 | -.31643095 |
| 3 | 3s | 2.898909 | .97265619 |
| 4 | 4s | 1.646318 | -2.74501813 |
| 5 | 5s | 1.751329 | 1.44454184 |
| 6 | 5s | 20.049221 | -.00242003 |
| 7 | 3s | .673246 | .00147254 |
| 8 | 4s | 35.086893 | .00008029 |
| ORB.ENERGY,a.u. | -1.767700 | ||
| NORM | .999999 | < R > | 2.598478 | < R2 > | 7.545140 | < 1/R > | .524201 | < 1/R**2 > | 2.106564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.727553 | 2.84352010 |
| 2 | 1s | 20.984952 | .01594309 |
| 3 | 2s | 6.699293 | -1.49649255 |
| 4 | 3s | 2.140956 | -.58326569 |
| 5 | 4s | 5.878822 | -.61567452 |
| 6 | 5s | 9.320741 | -.10887710 |
| 7 | 3s | 56.984031 | -.00010212 |
| 8 | 2s | .864644 | -.00156395 |
| 9 | 4s | 96.486247 | .00002265 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.206034 | < R2 > | 1.650940 | < 1/R > | 1.142950 | < 1/R**2 > | 7.751643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.485147 | .43180793 |
| 2 | 3p | 8.326995 | .49966121 |
| 3 | 5p | 5.573974 | .00887642 |
| 4 | 4p | 6.886994 | .16276967 |
| 5 | 2p | 24.645670 | .00174679 |
| 6 | 5p | 39.354270 | -.00015514 |
| 7 | 4p | 98.697682 | .00000418 |
| 8 | 4p | 3.078143 | -.00017665 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .373005 | < R2 > | .171854 | < 1/R > | 3.466152 | < 1/R**2 > | 16.659312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 5s | 2.274814 | .00028588 |
| 2 | 1s | 14.336143 | .39220706 |
| 3 | 2s | 7.621157 | -.83632898 |
| 4 | 3s | 6.786477 | -.30272134 |
| 5 | 4s | 29.316770 | .00376288 |
| 6 | 3s | 14.762255 | .01079336 |
| 7 | 2s | 2.879361 | -.02993945 |
| 8 | 4s | 3.733760 | .01431761 |
| 9 | 5s | 36.892080 | -.00061179 |
| 10 | 2s | 66.378479 | -.00001632 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409040 | < R2 > | .197656 | < 1/R > | 3.581857 | < 1/R**2 > | 52.687053 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586222 | 1.00962640 |
| 2 | 2s | 23.182891 | -.01667895 |
| 3 | 3s | 16.315021 | .01508085 |
| 4 | 4s | 26.262538 | -.00077691 |
| 5 | 4s | 12.466776 | .00421182 |
| 6 | 5s | 44.219949 | .00035446 |
| 7 | 5s | 14.353224 | -.00246197 |
| 8 | 2s | 28.291282 | -.00295052 |
| 9 | 2s | 71.610238 | .00005467 |
| 10 | 5s | 8.327142 | .00007732 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086063 | < R2 > | .009949 | < 1/R > | 17.558633 | < 1/R**2 > | 621.421383 |
Total Energy= -517.44485683 a.u.
Kinetic Energy= 517.44483551 a.u.
Potential Energy= -1034.88969234 a.u.
Virial Ratio = -2.00000004