(1s 2 2s 2 2p 6 3s 2 3p 3 5d 1 ) 3 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.272572 | .40792989 |
| 2 | 4d | .603677 | -4.64671527 |
| 3 | 5d | .646616 | 4.97477920 |
| 4 | 3d | 2.981757 | .20168688 |
| 5 | 4d | 3.629584 | -.07735902 |
| 6 | 5d | 13.019743 | .00047983 |
| 7 | 3d | 9.327811 | .00304675 |
| 8 | 3d | .321407 | .01158070 |
| ORB.ENERGY,a.u. | -.206450 | ||
| NORM | .999999 | < R > | 9.785182 | < R2 > | 109.910011 | < 1/R > | .157594 | < 1/R**2 > | .071558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.282001 | .61079410 |
| 2 | 2p | 1.966087 | -1.38232916 |
| 3 | 3p | 10.083932 | -.09109906 |
| 4 | 4p | 5.416962 | .13124170 |
| 5 | 5p | 11.202417 | -.02353353 |
| 6 | 3p | 1.943406 | .15623381 |
| 7 | 4p | 36.790166 | -.00016269 |
| 8 | 5p | 1.740842 | -.00196187 |
| 9 | 5p | 128.160371 | -.00000206 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.400274 | < R2 > | 2.266228 | < 1/R > | .954903 | < 1/R**2 > | 1.997091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.487379 | .55854864 |
| 2 | 1s | 14.130875 | .11722884 |
| 3 | 2s | 5.228902 | -.64850419 |
| 4 | 3s | 2.869201 | .68754305 |
| 5 | 4s | 5.553988 | .09029495 |
| 6 | 2s | 8.813857 | -.12450274 |
| 7 | 4s | 28.385500 | .00089254 |
| 8 | 2s | 28.451060 | -.00034121 |
| 9 | 5s | 2.022686 | -.02719364 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.306389 | < R2 > | 1.950782 | < 1/R > | 1.046404 | < 1/R**2 > | 6.439645 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.812190 | .46372907 |
| 2 | 3p | 8.132732 | .46804374 |
| 3 | 4p | 6.743898 | .15213333 |
| 4 | 5p | 5.187247 | .00878450 |
| 5 | 2p | 16.551251 | .01661733 |
| 6 | 5p | 14.581652 | -.00786229 |
| 7 | 4p | 60.269746 | .00002687 |
| 8 | 3p | 2.089719 | .00045548 |
| 9 | 3p | 23.015541 | -.00109405 |
| 10 | 2p | 119.306042 | -.00000096 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374855 | < R2 > | .173856 | < 1/R > | 3.453549 | < 1/R**2 > | 16.555843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463656 | .38502739 |
| 2 | 2s | 7.567420 | -.81206421 |
| 3 | 3s | 6.889931 | -.27991904 |
| 4 | 4s | 30.681692 | .00159046 |
| 5 | 3s | 17.579247 | .00790681 |
| 6 | 2s | 3.939333 | -.05929314 |
| 7 | 5s | 3.227715 | -.02007193 |
| 8 | 4s | 2.889186 | .02546493 |
| 9 | 3s | 1.637804 | -.00034156 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411335 | < R2 > | .200170 | < 1/R > | 3.562938 | < 1/R**2 > | 52.181941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581258 | 1.00986086 |
| 2 | 2s | 22.363383 | -.01728877 |
| 3 | 3s | 14.946584 | .01750639 |
| 4 | 4s | 51.764433 | -.00051351 |
| 5 | 4s | 12.526251 | .00290249 |
| 6 | 5s | 61.826519 | .00011604 |
| 7 | 5s | 16.001185 | -.00407431 |
| 8 | 2s | 34.519038 | -.00228633 |
| 9 | 2s | 86.940133 | .00004114 |
| 10 | 5s | 3.494696 | -.00001846 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554806 | < 1/R**2 > | 621.211689 |
Total Energy= -524.08395603 a.u.
Kinetic Energy= 524.07189890 a.u.
Potential Energy= -1048.15585493 a.u.
Virial Ratio = -2.00002301