(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 F Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.448956 | .90492119 |
| 2 | 4d | 1.335301 | -1.93718607 |
| 3 | 3d | 2.504887 | .58078484 |
| 4 | 4d | 3.030041 | -.28623183 |
| 5 | 5d | 9.507993 | -.00859253 |
| 6 | 5d | 1.402690 | .22497352 |
| 7 | 3d | 5.894923 | .04476103 |
| 8 | 4d | 23.328210 | .00012746 |
| 9 | 3d | 30.949471 | .00002861 |
| ORB.ENERGY,a.u. | -.880290 | ||
| NORM | .999999 | < R > | 3.584364 | < R2 > | 14.949191 | < 1/R > | .395472 | < 1/R**2 > | .296123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.595330 | .38726541 |
| 2 | 2p | 2.216023 | -.34303318 |
| 3 | 3p | 2.777852 | -.77862223 |
| 4 | 2p | 10.652673 | .08592903 |
| 5 | 3p | 19.094195 | -.00175341 |
| 6 | 4p | 1.897058 | -.00233892 |
| 7 | 5p | 44.545836 | -.00005041 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.309511 | < R2 > | 1.971461 | < 1/R > | 1.026773 | < 1/R**2 > | 2.309523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.092966 | -.24625590 |
| 2 | 1s | 13.088778 | .20502397 |
| 3 | 1s | 73.449209 | .00005927 |
| 4 | 2s | 6.041899 | -.33389097 |
| 5 | 3s | 2.854380 | 1.11143029 |
| 6 | 4s | 4.899867 | .12787303 |
| 7 | 3s | 40.467070 | -.00051404 |
| 8 | 5s | 3.207250 | -.09489187 |
| 9 | 2s | 1.499066 | .00231738 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.240051 | < R2 > | 1.747614 | < 1/R > | 1.106942 | < 1/R**2 > | 7.243435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.425974 | .43580118 |
| 2 | 3p | 8.302447 | .49312298 |
| 3 | 5p | 5.926206 | .01556328 |
| 4 | 4p | 6.969887 | .15788336 |
| 5 | 2p | 23.622034 | .00210706 |
| 6 | 5p | 41.751736 | -.00015448 |
| 7 | 3p | 2.946162 | .00167289 |
| 8 | 4p | 128.210124 | .00000162 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373899 | < R2 > | .172856 | < 1/R > | 3.460491 | < 1/R**2 > | 16.614419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329729 | .39159210 |
| 2 | 2s | 7.642608 | -.82732986 |
| 3 | 3s | 7.015459 | -.29746560 |
| 4 | 4s | 26.104094 | .00364145 |
| 5 | 3s | 13.043467 | .01104200 |
| 6 | 4s | 6.239305 | -.03865302 |
| 7 | 5s | 4.143223 | -.00029395 |
| 8 | 4s | 36.675921 | .00056274 |
| 9 | 2s | 47.326538 | -.00009387 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410026 | < R2 > | .198732 | < 1/R > | 3.573696 | < 1/R**2 > | 52.468362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586297 | 1.00955432 |
| 2 | 2s | 22.925337 | -.01618507 |
| 3 | 3s | 15.914729 | .01519878 |
| 4 | 4s | 32.622614 | -.00071716 |
| 5 | 4s | 11.939512 | .00373956 |
| 6 | 5s | 43.219262 | .00038425 |
| 7 | 5s | 14.126154 | -.00252310 |
| 8 | 2s | 31.106456 | -.00307320 |
| 9 | 2s | 64.131265 | .00012043 |
| 10 | 5s | 2.388789 | -.00000268 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086073 | < R2 > | .009951 | < 1/R > | 17.557304 | < 1/R**2 > | 621.349308 |
Total Energy= -519.90879439 a.u.
Kinetic Energy= 519.87432155 a.u.
Potential Energy= -1039.78311593 a.u.
Virial Ratio = -2.00006631