(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 4 D Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 4p | .953520 | .77312154 |
| 2 | 5p | .591846 | -1.22362506 |
| 3 | 3p | 3.104645 | -.14378975 |
| 4 | 2p | 10.690754 | .01246979 |
| 5 | 2p | 5.498288 | .05217744 |
| 6 | 5p | 2.789595 | -.06603292 |
| 7 | 3p | 20.710314 | -.00021636 |
| ORB.ENERGY,a.u. | -.334930 | ||
| NORM | 1.000000 | < R > | 9.739347 | < R2 > | 106.430044 | < 1/R > | .135671 | < 1/R**2 > | .063324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.922948 | .91210313 |
| 2 | 2p | 1.989940 | -1.16449423 |
| 3 | 3p | 4.615633 | -.45217809 |
| 4 | 2p | 10.538989 | .07993444 |
| 5 | 3p | 18.610995 | -.00173696 |
| 6 | 5p | 2.187569 | -.05303191 |
| 7 | 4p | 3.438115 | -.02171383 |
| 8 | 5p | 45.736819 | -.00003712 |
| 9 | 3p | .503489 | .00110959 |
| 10 | 4p | 1.039942 | -.00163045 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.473725 | < R2 > | 2.530880 | < 1/R > | .909347 | < 1/R**2 > | 1.821796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437761 | .76853350 |
| 2 | 1s | 9.981112 | .18055419 |
| 3 | 2s | 5.338433 | -.73206659 |
| 4 | 3s | 2.827587 | .52776136 |
| 5 | 4s | 5.846794 | .06875137 |
| 6 | 2s | 10.542448 | -.16916026 |
| 7 | 2s | 18.473154 | -.00535290 |
| 8 | 5s | 1.936249 | -.03285311 |
| 9 | 4s | 30.446615 | .00055644 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.342604 | < R2 > | 2.069141 | < 1/R > | 1.017285 | < 1/R**2 > | 6.072457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897802 | .47259104 |
| 2 | 3p | 8.064391 | .47425527 |
| 3 | 4p | 6.705356 | .14353132 |
| 4 | 5p | 5.300887 | .00961353 |
| 5 | 2p | 20.012246 | .00691792 |
| 6 | 5p | 15.408102 | -.00705556 |
| 7 | 3p | 48.480553 | .00003741 |
| 8 | 3p | 2.274715 | .00147012 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375310 | < R2 > | .174368 | < 1/R > | 3.450581 | < 1/R**2 > | 16.531709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489312 | .38362020 |
| 2 | 2s | 7.544768 | -.80325666 |
| 3 | 3s | 6.938534 | -.26219974 |
| 4 | 4s | 30.401584 | .00159827 |
| 5 | 3s | 17.935182 | .00715962 |
| 6 | 2s | 4.311264 | -.08028342 |
| 7 | 5s | 3.287837 | -.01147147 |
| 8 | 4s | 2.973439 | .01403409 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411784 | < R2 > | .200669 | < 1/R > | 3.559289 | < 1/R**2 > | 52.085018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580790 | 1.00986069 |
| 2 | 2s | 22.413015 | -.01728820 |
| 3 | 3s | 14.919377 | .01754244 |
| 4 | 4s | 51.121867 | -.00050658 |
| 5 | 4s | 12.554300 | .00288740 |
| 6 | 5s | 60.163279 | .00012275 |
| 7 | 5s | 16.004329 | -.00409523 |
| 8 | 2s | 34.435583 | -.00228478 |
| 9 | 2s | 85.508847 | .00004384 |
| 10 | 5s | 3.825262 | -.00002754 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.554010 | < 1/R**2 > | 621.167943 |
Total Energy= -525.45201790 a.u.
Kinetic Energy= 525.45311099 a.u.
Potential Energy= -1050.90512889 a.u.
Virial Ratio = -1.99999792