(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 1.917302 | 1.13741937 |
| 2 | 4d | 2.278187 | -.28527036 |
| 3 | 3d | 3.945046 | .32821446 |
| 4 | 4d | 4.540673 | -.11285076 |
| 5 | 5d | 8.282413 | -.01840261 |
| 6 | 3d | 12.128393 | .00211428 |
| 7 | 5d | 1.369976 | .00157926 |
| ORB.ENERGY,a.u. | -1.588600 | ||
| NORM | 1.000000 | < R > | 1.596222 | < R2 > | 3.045487 | < 1/R > | .776257 | < 1/R**2 > | .782811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.949566 | .34000584 |
| 2 | 2p | 2.031574 | -.29600146 |
| 3 | 3p | 2.579997 | -.65363205 |
| 4 | 2p | 10.875085 | .07522692 |
| 5 | 3p | 20.617527 | -.00141948 |
| 6 | 4p | 4.223729 | -.13957735 |
| 7 | 4p | 65.510605 | .00001211 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.340771 | < R2 > | 2.076467 | < 1/R > | 1.006158 | < 1/R**2 > | 2.233051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.337386 | -.23081075 |
| 2 | 1s | 13.068655 | .20322906 |
| 3 | 1s | 82.575552 | .00004164 |
| 4 | 2s | 5.990231 | -.33268900 |
| 5 | 3s | 2.797247 | 1.10430822 |
| 6 | 4s | 4.938736 | .12728829 |
| 7 | 3s | 40.753020 | -.00054895 |
| 8 | 5s | 3.313419 | -.09502368 |
| 9 | 4s | 1.932642 | .00127341 |
| 10 | 4s | 129.557445 | -.00000371 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.262051 | < R2 > | 1.814111 | < 1/R > | 1.086231 | < 1/R**2 > | 6.963843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.432552 | .43523818 |
| 2 | 3p | 8.303791 | .49352426 |
| 3 | 5p | 5.891222 | .01573156 |
| 4 | 4p | 6.958709 | .15816295 |
| 5 | 2p | 23.895173 | .00201286 |
| 6 | 5p | 40.854219 | -.00015041 |
| 7 | 3p | 2.721513 | .00251027 |
| 8 | 4p | 112.805125 | .00000238 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374245 | < R2 > | .173287 | < 1/R > | 3.458776 | < 1/R**2 > | 16.602516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.425665 | .38755180 |
| 2 | 2s | 7.567152 | -.83432507 |
| 3 | 3s | 6.834042 | -.29834695 |
| 4 | 4s | 30.526580 | .00184496 |
| 5 | 3s | 17.074363 | .00848127 |
| 6 | 4s | 5.729521 | -.01982066 |
| 7 | 4s | 1.176546 | -.00080840 |
| 8 | 5s | 80.564135 | .00001217 |
| 9 | 5s | 1.370316 | .00075629 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410228 | < R2 > | .198973 | < 1/R > | 3.572299 | < 1/R**2 > | 52.432684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586491 | 1.00955117 |
| 2 | 2s | 22.917587 | -.01618129 |
| 3 | 3s | 15.920757 | .01519271 |
| 4 | 4s | 32.620329 | -.00071704 |
| 5 | 4s | 11.935434 | .00374155 |
| 6 | 5s | 43.196165 | .00038454 |
| 7 | 5s | 14.129317 | -.00252279 |
| 8 | 2s | 31.115436 | -.00307486 |
| 9 | 2s | 64.172849 | .00012035 |
| 10 | 5s | 2.039459 | -.00000209 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086071 | < R2 > | .009951 | < 1/R > | 17.557554 | < 1/R**2 > | 621.363565 |
Total Energy= -520.76820073 a.u.
Kinetic Energy= 520.58427015 a.u.
Potential Energy= -1041.35247088 a.u.
Virial Ratio = -2.00035332