(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 3 F Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 7.891280 | .01537114 |
| 2 | 4d | 61.917833 | .00000225 |
| 3 | 3d | 1.269058 | 1.19579636 |
| 4 | 4d | 1.368153 | -2.48398571 |
| 5 | 3d | 2.324296 | .78913643 |
| 6 | 4d | 2.741537 | -.40095936 |
| 7 | 5d | 4.429663 | -.03382107 |
| 8 | 5d | 1.473557 | .32345954 |
| ORB.ENERGY,a.u. | -.915710 | ||
| NORM | 1.000000 | < R > | 3.532087 | < R2 > | 14.205756 | < 1/R > | .377456 | < 1/R**2 > | .256208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 25.204149 | -.00051876 |
| 2 | 4p | 2.138785 | -.01432595 |
| 3 | 5p | 17.061286 | -.00374168 |
| 4 | 2p | 5.374591 | .38509123 |
| 5 | 2p | 2.301064 | -.31355980 |
| 6 | 3p | 2.834426 | -.81549883 |
| 7 | 2p | 9.980419 | .11270296 |
| 8 | 3p | 17.887311 | -.00357915 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.295942 | < R2 > | 1.929900 | < 1/R > | 1.038225 | < 1/R**2 > | 2.358814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.082516 | -.24703675 |
| 2 | 1s | 13.088627 | .20520041 |
| 3 | 1s | 73.561333 | .00005924 |
| 4 | 2s | 6.044804 | -.33412518 |
| 5 | 3s | 2.859213 | 1.11203501 |
| 6 | 4s | 4.883857 | .12793027 |
| 7 | 3s | 40.435399 | -.00051729 |
| 8 | 5s | 3.215327 | -.09518168 |
| 9 | 2s | 1.400248 | .00256995 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238892 | < R2 > | 1.744300 | < 1/R > | 1.108154 | < 1/R**2 > | 7.260473 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.423842 | .43600458 |
| 2 | 3p | 8.302391 | .49288078 |
| 3 | 5p | 5.947617 | .01544001 |
| 4 | 4p | 6.973577 | .15778683 |
| 5 | 2p | 23.598990 | .00212184 |
| 6 | 5p | 41.783782 | -.00015207 |
| 7 | 3p | 3.214675 | .00156310 |
| 8 | 4p | 126.607044 | .00000164 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373798 | < R2 > | .172728 | < 1/R > | 3.460984 | < 1/R**2 > | 16.617858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329444 | .39159932 |
| 2 | 2s | 7.642562 | -.82733438 |
| 3 | 3s | 7.015226 | -.29746927 |
| 4 | 4s | 26.079349 | .00364141 |
| 5 | 3s | 13.043884 | .01104243 |
| 6 | 4s | 6.242853 | -.03863415 |
| 7 | 5s | 4.181540 | -.00028586 |
| 8 | 4s | 36.673730 | .00056395 |
| 9 | 2s | 47.085135 | -.00009572 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410025 | < R2 > | .198728 | < 1/R > | 3.573666 | < 1/R**2 > | 52.467356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586233 | 1.00955537 |
| 2 | 2s | 22.928293 | -.01618639 |
| 3 | 3s | 15.912525 | .01520092 |
| 4 | 4s | 32.623773 | -.00071718 |
| 5 | 4s | 11.941124 | .00373873 |
| 6 | 5s | 43.220763 | .00038418 |
| 7 | 5s | 14.125187 | -.00252319 |
| 8 | 2s | 31.102867 | -.00307251 |
| 9 | 2s | 64.115488 | .00012048 |
| 10 | 5s | 2.516341 | -.00000288 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009951 | < 1/R > | 17.557218 | < 1/R**2 > | 621.344535 |
Total Energy= -519.90597635 a.u.
Kinetic Energy= 519.90947676 a.u.
Potential Energy= -1039.81545311 a.u.
Virial Ratio = -1.99999327