(1s 2 2s 2 2p 3 4d 1 ) 3 D Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 3.031936 | 1.49629702 |
| 2 | 4d | 2.767512 | -2.02768114 |
| 3 | 3d | 9.058658 | .02389157 |
| 4 | 4d | 6.241013 | .02764622 |
| 5 | 5d | 31.911031 | -.00007060 |
| ORB.ENERGY,a.u. | -3.854800 | ||
| NORM | 1.000000 | < R > | 1.861955 | < R2 > | 3.974822 | < 1/R > | .714337 | < 1/R**2 > | .841745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.270984 | 1.25142847 |
| 2 | 3p | 9.454494 | -.32695030 |
| 3 | 4p | 11.962053 | .06907196 |
| 4 | 5p | 23.333317 | .00323668 |
| 5 | 4p | 4.969425 | .00383775 |
| 6 | 5p | 23.123007 | -.00012096 |
| 7 | 5p | 4.747128 | -.00093084 |
| ORB.ENERGY,a.u. | -22.001000 | ||
| NORM | 1.000000 | < R > | .336966 | < R2 > | .138020 | < 1/R > | 3.769068 | < 1/R**2 > | 19.323647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.075888 | .42808075 |
| 2 | 2s | 7.910373 | -.87318759 |
| 3 | 3s | 7.629858 | -.29311176 |
| 4 | 4s | 30.480138 | .00179429 |
| 5 | 3s | 16.570759 | .01538997 |
| 6 | 5s | 7.658099 | -.00795317 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385961 | < R2 > | .174761 | < 1/R > | 3.804527 | < 1/R**2 > | 58.867917 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185019 | .94510490 |
| 2 | 1s | 26.902020 | .05233756 |
| 3 | 2s | 15.414575 | .01874791 |
| 4 | 3s | 21.570332 | -.01475477 |
| 5 | 4s | 32.478916 | .00255587 |
| 6 | 5s | 60.964867 | .00010840 |
| 7 | 5s | 12.673325 | .00041326 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085711 | < R2 > | .009849 | < 1/R > | 17.604499 | < 1/R**2 > | 623.945193 |
Total Energy= -457.09316488 a.u.
Kinetic Energy= 457.03818124 a.u.
Potential Energy= -914.13134612 a.u.
Virial Ratio = -2.00012030