(1s 2 2s 2 2p 6 3s 2 3p 4 3d 1 ) 4 F Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | .950792 | .95485726 |
| 2 | 4d | 1.070990 | -.33781911 |
| 3 | 3d | 2.117079 | 1.15857339 |
| 4 | 4d | 2.584656 | -.93204505 |
| 5 | 5d | 3.065353 | .24349119 |
| 6 | 3d | 7.930192 | .01223513 |
| 7 | 4d | 50.858973 | .00000388 |
| ORB.ENERGY,a.u. | -.530910 | ||
| NORM | 1.000000 | < R > | 2.516568 | < R2 > | 8.006136 | < 1/R > | .526967 | < 1/R**2 > | .389020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.757760 | .84208450 |
| 2 | 2p | 1.943591 | -1.14372445 |
| 3 | 3p | 4.361673 | -.44658199 |
| 4 | 2p | 10.131980 | .09668440 |
| 5 | 3p | 19.734097 | -.00139064 |
| 6 | 5p | 2.032326 | -.07289236 |
| 7 | 4p | 9.694666 | .01047454 |
| 8 | 4p | 1.205563 | -.00394574 |
| 9 | 3p | 52.383681 | .00000677 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.517377 | < R2 > | 2.700994 | < 1/R > | .885250 | < 1/R**2 > | 1.731068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.457054 | .75246238 |
| 2 | 1s | 10.138589 | .17308508 |
| 3 | 2s | 5.350282 | -.70385579 |
| 4 | 3s | 2.806700 | .49795025 |
| 5 | 4s | 5.568347 | .06711453 |
| 6 | 2s | 10.242680 | -.16583284 |
| 7 | 2s | 16.456754 | -.01062605 |
| 8 | 5s | 1.787597 | -.04112692 |
| 9 | 4s | 31.237461 | .00063530 |
| 10 | 3s | 1.427812 | .04929055 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.362802 | < R2 > | 2.139447 | < 1/R > | 1.002850 | < 1/R**2 > | 5.898088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.894682 | .47320248 |
| 2 | 3p | 8.063347 | .47383851 |
| 3 | 4p | 6.704917 | .14342783 |
| 4 | 5p | 5.288349 | .00965807 |
| 5 | 2p | 20.024961 | .00690555 |
| 6 | 5p | 15.398620 | -.00707733 |
| 7 | 3p | 48.118723 | .00003803 |
| 8 | 3p | 2.162842 | .00122276 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375193 | < R2 > | .174251 | < 1/R > | 3.451529 | < 1/R**2 > | 16.540148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489258 | .38367397 |
| 2 | 2s | 7.545806 | -.80328898 |
| 3 | 3s | 6.939403 | -.26219718 |
| 4 | 4s | 30.346078 | .00158572 |
| 5 | 3s | 18.032017 | .00710438 |
| 6 | 2s | 4.306401 | -.08026949 |
| 7 | 5s | 3.279683 | -.01152847 |
| 8 | 4s | 2.972848 | .01404200 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411749 | < R2 > | .200642 | < 1/R > | 3.559720 | < 1/R**2 > | 52.097298 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581092 | 1.00985568 |
| 2 | 2s | 22.400221 | -.01728272 |
| 3 | 3s | 14.927220 | .01753164 |
| 4 | 4s | 51.206413 | -.00050705 |
| 5 | 4s | 12.540633 | .00289175 |
| 6 | 5s | 60.177454 | .00012326 |
| 7 | 5s | 16.006499 | -.00409525 |
| 8 | 2s | 34.448556 | -.00228655 |
| 9 | 2s | 85.529889 | .00004361 |
| 10 | 5s | 3.667269 | -.00002515 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086095 | < R2 > | .009957 | < 1/R > | 17.554405 | < 1/R**2 > | 621.190128 |
Total Energy= -525.62068135 a.u.
Kinetic Energy= 525.65059519 a.u.
Potential Energy= -1051.27127654 a.u.
Virial Ratio = -1.99994309