(1s 2 2s 2 2p 6 3s 2 3p 3 4p 1 ) 3 P Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | .635360 | .54873640 |
| 2 | 5p | 1.350158 | .65138177 |
| 3 | 4p | 4.209413 | -.20378005 |
| 4 | 2p | 7.710746 | .08379705 |
| 5 | 5p | 2.997091 | -.24735204 |
| 6 | 3p | 10.530964 | -.01215814 |
| 7 | 4p | 35.186932 | -.00008752 |
| 8 | 3p | .522930 | -.12858403 |
| 9 | 4p | .497050 | .03157007 |
| ORB.ENERGY,a.u. | -.524540 | ||
| NORM | 1.000000 | < R > | 4.173100 | < R2 > | 19.208361 | < 1/R > | .288002 | < 1/R**2 > | .190143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.329353 | .60657974 |
| 2 | 2p | 2.059289 | -1.27374892 |
| 3 | 3p | 10.310355 | -.08304596 |
| 4 | 4p | 5.419028 | .14736203 |
| 5 | 5p | 11.554149 | -.02277660 |
| 6 | 3p | .982917 | .03891063 |
| 7 | 4p | 36.820099 | -.00013537 |
| 8 | 5p | 128.525155 | -.00000150 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.383653 | < R2 > | 2.203272 | < 1/R > | .963602 | < 1/R**2 > | 2.027862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.480107 | .55761159 |
| 2 | 1s | 14.184261 | .11667188 |
| 3 | 2s | 5.216381 | -.65015099 |
| 4 | 3s | 2.878925 | .69172278 |
| 5 | 4s | 5.617508 | .08856864 |
| 6 | 2s | 8.796220 | -.12369225 |
| 7 | 4s | 28.092355 | .00100417 |
| 8 | 2s | 31.821939 | -.00020287 |
| 9 | 5s | 2.029423 | -.02667958 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.307086 | < R2 > | 1.953181 | < 1/R > | 1.045896 | < 1/R**2 > | 6.433710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.803692 | .46267420 |
| 2 | 3p | 8.176731 | .47216053 |
| 3 | 4p | 6.710114 | .15588508 |
| 4 | 5p | 4.945447 | .00709152 |
| 5 | 2p | 17.456038 | .01462823 |
| 6 | 5p | 14.495586 | -.01198775 |
| 7 | 4p | 66.835160 | .00005565 |
| 8 | 5p | 2.051905 | .00015803 |
| 9 | 3p | 103.794102 | .00001311 |
| 10 | 2p | 174.332064 | .00000090 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374877 | < R2 > | .173870 | < 1/R > | 3.453280 | < 1/R**2 > | 16.553266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.465364 | .38489591 |
| 2 | 2s | 7.566661 | -.81192950 |
| 3 | 3s | 6.892017 | -.28003960 |
| 4 | 4s | 30.687082 | .00159219 |
| 5 | 3s | 17.573596 | .00788798 |
| 6 | 2s | 3.894676 | -.05992462 |
| 7 | 5s | 3.257670 | -.02130193 |
| 8 | 4s | 2.926468 | .02734543 |
| 9 | 3s | 1.651086 | -.00022658 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411403 | < R2 > | .200242 | < 1/R > | 3.562350 | < 1/R**2 > | 52.166136 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581117 | 1.00986306 |
| 2 | 2s | 22.370007 | -.01729120 |
| 3 | 3s | 14.942730 | .01751167 |
| 4 | 4s | 51.722481 | -.00051331 |
| 5 | 4s | 12.532994 | .00290040 |
| 6 | 5s | 61.821490 | .00011576 |
| 7 | 5s | 15.999922 | -.00407433 |
| 8 | 2s | 34.512211 | -.00228536 |
| 9 | 2s | 86.908018 | .00004127 |
| 10 | 5s | 3.623296 | -.00001945 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086093 | < R2 > | .009957 | < 1/R > | 17.554615 | < 1/R**2 > | 621.201073 |
Total Energy= -524.40071085 a.u.
Kinetic Energy= 524.38961287 a.u.
Potential Energy= -1048.79032372 a.u.
Virial Ratio = -2.00002116