(1s 2 2s 2 2p 1 5d 1 ) 1 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 3.393210 | 1.41676136 |
| 2 | 4d | 2.753976 | -4.52574047 |
| 3 | 5d | 2.605814 | 3.81821314 |
| 4 | 3d | 7.308290 | .04018762 |
| 5 | 5d | 2.084403 | -.01682142 |
| 6 | 5d | 10.789916 | -.00511260 |
| 7 | 4d | 43.991097 | .00003458 |
| 8 | 3d | 88.902905 | .00000107 |
| ORB.ENERGY,a.u. | -3.459900 | ||
| NORM | 1.000000 | < R > | 2.589277 | < R2 > | 7.607300 | < 1/R > | .536361 | < 1/R**2 > | .592072 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.632499 | 1.08238920 |
| 2 | 3p | 9.226604 | -.09320570 |
| 3 | 2p | 18.859748 | .01066394 |
| 4 | 5p | 23.393156 | .00200762 |
| 5 | 5p | 1.597070 | .00006178 |
| 6 | 4p | 87.403824 | .00000576 |
| ORB.ENERGY,a.u. | -27.206000 | ||
| NORM | 1.000000 | < R > | .320277 | < R2 > | .123952 | < 1/R > | 3.938356 | < 1/R**2 > | 20.932943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.363124 | .39091760 |
| 2 | 2s | 7.039087 | -.81744992 |
| 3 | 3s | 10.019225 | -.28770830 |
| 4 | 4s | 32.991844 | .00124160 |
| 5 | 5s | 19.651455 | -.00790155 |
| 6 | 5s | 7.823395 | .01725996 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371526 | < R2 > | .161388 | < 1/R > | 3.962424 | < 1/R**2 > | 63.424065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.207389 | .93953751 |
| 2 | 1s | 26.408495 | .05693044 |
| 3 | 2s | 15.851596 | .02000435 |
| 4 | 3s | 19.399879 | -.01408081 |
| 5 | 4s | 89.529418 | -.00005618 |
| 6 | 5s | 41.024674 | .00067672 |
| 7 | 4s | 7.247318 | .00003097 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646032 | < 1/R**2 > | 626.241373 |
Total Energy= -408.65516477 a.u.
Kinetic Energy= 408.67050843 a.u.
Potential Energy= -817.32567320 a.u.
Virial Ratio = -1.99996245