(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 1.612560 | .67584157 |
| 2 | 4d | 1.194615 | -2.47871362 |
| 3 | 5d | 1.032029 | 2.39318831 |
| 4 | 3d | 3.849961 | .23741807 |
| 5 | 4d | 4.967143 | -.16590814 |
| 6 | 5d | 6.090175 | .05635515 |
| 7 | 3d | .460401 | -.01895934 |
| 8 | 4d | 69.373024 | .00000115 |
| 9 | 4d | .405100 | .00513961 |
| ORB.ENERGY,a.u. | -.548530 | ||
| NORM | 1.000001 | < R > | 6.199792 | < R2 > | 43.834111 | < 1/R > | .234709 | < 1/R**2 > | .134548 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.708933 | .39009201 |
| 2 | 2p | 2.258903 | -.31293649 |
| 3 | 3p | 2.796487 | -.77844971 |
| 4 | 2p | 10.528023 | .08545143 |
| 5 | 3p | 18.202791 | -.00322886 |
| 6 | 4p | 12.214344 | -.00610880 |
| 7 | 4p | .852718 | -.00008232 |
| 8 | 5p | 4.155989 | -.02720137 |
| 9 | 5p | 2.415462 | -.00050410 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.296505 | < R2 > | 1.930580 | < 1/R > | 1.037324 | < 1/R**2 > | 2.354558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.076915 | -.24830650 |
| 2 | 1s | 13.092018 | .20574969 |
| 3 | 1s | 75.394654 | .00005523 |
| 4 | 2s | 6.038252 | -.33540075 |
| 5 | 3s | 2.865888 | 1.11552959 |
| 6 | 4s | 4.881460 | .12872800 |
| 7 | 3s | 40.657087 | -.00051948 |
| 8 | 5s | 3.226886 | -.09556921 |
| 9 | 2s | 2.830175 | -.00001404 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.236017 | < R2 > | 1.735818 | < 1/R > | 1.111017 | < 1/R**2 > | 7.300057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.422577 | .43612642 |
| 2 | 3p | 8.302231 | .49274774 |
| 3 | 5p | 5.955876 | .01538351 |
| 4 | 4p | 6.976234 | .15773603 |
| 5 | 2p | 23.577649 | .00213200 |
| 6 | 5p | 41.893155 | -.00015176 |
| 7 | 3p | 3.073022 | .00167966 |
| 8 | 4p | 127.847929 | .00000150 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373765 | < R2 > | .172695 | < 1/R > | 3.461204 | < 1/R**2 > | 16.619535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330852 | .39159476 |
| 2 | 2s | 7.642701 | -.82731132 |
| 3 | 3s | 7.016743 | -.29744140 |
| 4 | 4s | 26.108429 | .00365569 |
| 5 | 3s | 13.059134 | .01103414 |
| 6 | 4s | 6.255157 | -.03855209 |
| 7 | 5s | 4.110818 | -.00030187 |
| 8 | 4s | 36.786500 | .00056166 |
| 9 | 2s | 47.786168 | -.00008994 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409958 | < R2 > | .198653 | < 1/R > | 3.574176 | < 1/R**2 > | 52.480716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586216 | 1.00955561 |
| 2 | 2s | 22.928845 | -.01618665 |
| 3 | 3s | 15.912134 | .01520134 |
| 4 | 4s | 32.622877 | -.00071720 |
| 5 | 4s | 11.941596 | .00373850 |
| 6 | 5s | 43.222767 | .00038415 |
| 7 | 5s | 14.124810 | -.00252325 |
| 8 | 2s | 31.102315 | -.00307243 |
| 9 | 2s | 64.112896 | .00012049 |
| 10 | 5s | 2.523351 | -.00000288 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009951 | < 1/R > | 17.557198 | < 1/R**2 > | 621.343302 |
Total Energy= -519.55784063 a.u.
Kinetic Energy= 519.54209170 a.u.
Potential Energy= -1039.09993233 a.u.
Virial Ratio = -2.00003031