(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 D Ar 4+
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 | 1.910383 | .48779928 |
| 2 | 4d | 1.202736 | -2.32423915 |
| 3 | 5d | 1.071099 | 2.44187823 |
| 4 | 3d | 3.996646 | .15197520 |
| 5 | 4d | 5.402632 | -.04504648 |
| 6 | 5d | 16.544614 | .00068006 |
| 7 | 3d | 14.087637 | .00060917 |
| 8 | 4d | .626985 | -.00236233 |
| ORB.ENERGY,a.u. | -.570140 | ||
| NORM | 1.000000 | < R > | 6.003651 | < R2 > | 40.888951 | < 1/R > | .235571 | < 1/R**2 > | .129721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.530042 | .38759437 |
| 2 | 2p | 2.170675 | -.31586992 |
| 3 | 3p | 2.843052 | -.81090933 |
| 4 | 2p | 10.557076 | .09125588 |
| 5 | 3p | 19.194102 | -.00194601 |
| 6 | 4p | 1.183134 | .00056497 |
| 7 | 4p | 85.563027 | .00000509 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.295536 | < R2 > | 1.928178 | < 1/R > | 1.038317 | < 1/R**2 > | 2.358628 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.076005 | -.24841839 |
| 2 | 1s | 13.092773 | .20577730 |
| 3 | 1s | 75.954930 | .00005408 |
| 4 | 2s | 6.037607 | -.33549541 |
| 5 | 3s | 2.866915 | 1.11571860 |
| 6 | 4s | 4.878252 | .12877339 |
| 7 | 3s | 40.718685 | -.00052026 |
| 8 | 5s | 3.231486 | -.09557297 |
| 9 | 2s | 2.540266 | -.00006231 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235848 | < R2 > | 1.735359 | < 1/R > | 1.111209 | < 1/R**2 > | 7.302814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.421893 | .43619229 |
| 2 | 3p | 8.302255 | .49267283 |
| 3 | 5p | 5.964814 | .01533659 |
| 4 | 4p | 6.976915 | .15770920 |
| 5 | 2p | 23.579167 | .00213428 |
| 6 | 5p | 41.807793 | -.00015007 |
| 7 | 3p | 3.143180 | .00165940 |
| 8 | 4p | 125.253860 | .00000168 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373736 | < R2 > | .172659 | < 1/R > | 3.461348 | < 1/R**2 > | 16.620561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330789 | .39159634 |
| 2 | 2s | 7.642697 | -.82731308 |
| 3 | 3s | 7.016702 | -.29744198 |
| 4 | 4s | 26.101931 | .00365647 |
| 5 | 3s | 13.059060 | .01103446 |
| 6 | 4s | 6.255754 | -.03855014 |
| 7 | 5s | 4.127907 | -.00029661 |
| 8 | 4s | 36.797413 | .00056185 |
| 9 | 2s | 47.715566 | -.00009034 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409958 | < R2 > | .198652 | < 1/R > | 3.574169 | < 1/R**2 > | 52.480493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586206 | 1.00955580 |
| 2 | 2s | 22.929264 | -.01618687 |
| 3 | 3s | 15.911773 | .01520170 |
| 4 | 4s | 32.622958 | -.00071721 |
| 5 | 4s | 11.941808 | .00373840 |
| 6 | 5s | 43.222775 | .00038414 |
| 7 | 5s | 14.124665 | -.00252328 |
| 8 | 2s | 31.101811 | -.00307234 |
| 9 | 2s | 64.110658 | .00012049 |
| 10 | 5s | 2.542219 | -.00000291 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009952 | < 1/R > | 17.557184 | < 1/R**2 > | 621.342569 |
Total Energy= -519.55733171 a.u.
Kinetic Energy= 519.56367295 a.u.
Potential Energy= -1039.12100465 a.u.
Virial Ratio = -1.99998780