(1s 2 2s 2 2p 6 3s 2 4d 1 ) 2 D Ar 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 2.058125 | .77876500 |
| 2 | 4d | 1.583658 | -1.42442721 |
| 3 | 3d | 3.923884 | .23813332 |
| 4 | 4d | 4.744901 | -.07920403 |
| 5 | 5d | 8.229556 | -.00887475 |
| 6 | 3d | 10.231878 | .00347110 |
| 7 | 5d | 1.339626 | .00397096 |
| 8 | 4d | 53.472894 | .00000446 |
| ORB.ENERGY,a.u. | -1.257400 | ||
| NORM | 1.000000 | < R > | 3.078014 | < R2 > | 10.870650 | < 1/R > | .440151 | < 1/R**2 > | .344737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.448505 | -.36521065 |
| 2 | 1s | 13.253245 | .19126542 |
| 3 | 1s | 32.184821 | .00071810 |
| 4 | 2s | 6.454905 | -.33140434 |
| 5 | 3s | 3.083375 | 1.11823237 |
| 6 | 4s | 4.580477 | .19516000 |
| 7 | 5s | 37.722647 | .00040334 |
| 8 | 5s | 1.694999 | .00613389 |
| 9 | 4s | 1.431320 | -.00575545 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.207921 | < R2 > | 1.654767 | < 1/R > | 1.139748 | < 1/R**2 > | 7.698655 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.484343 | .43215255 |
| 2 | 3p | 8.326935 | .49936812 |
| 3 | 5p | 5.590534 | .00882061 |
| 4 | 4p | 6.886638 | .16269704 |
| 5 | 2p | 24.621169 | .00174119 |
| 6 | 5p | 39.329429 | -.00016772 |
| 7 | 4p | 105.592467 | .00000345 |
| 8 | 4p | 1.577969 | -.00005701 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .372952 | < R2 > | .171816 | < 1/R > | 3.466800 | < 1/R**2 > | 16.665906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.352515 | .39142833 |
| 2 | 2s | 7.615998 | -.83485572 |
| 3 | 3s | 6.781084 | -.30255643 |
| 4 | 4s | 30.010228 | .00334551 |
| 5 | 3s | 15.282552 | .01027547 |
| 6 | 2s | 2.982367 | -.02855947 |
| 7 | 4s | 3.780413 | .01264822 |
| 8 | 5s | 38.843050 | -.00050702 |
| 9 | 2s | 77.262478 | -.00000743 |
| 10 | 5s | 2.117783 | .00008004 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409151 | < R2 > | .197775 | < 1/R > | 3.580889 | < 1/R**2 > | 52.659933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586410 | 1.00962412 |
| 2 | 2s | 23.178076 | -.01667659 |
| 3 | 3s | 16.319746 | .01507653 |
| 4 | 4s | 26.267945 | -.00077672 |
| 5 | 4s | 12.465739 | .00421211 |
| 6 | 5s | 44.119114 | .00035472 |
| 7 | 5s | 14.357600 | -.00246152 |
| 8 | 2s | 28.295966 | -.00295082 |
| 9 | 2s | 71.676823 | .00005462 |
| 10 | 5s | 8.279680 | .00007727 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086062 | < R2 > | .009948 | < 1/R > | 17.558861 | < 1/R**2 > | 621.435260 |
Total Energy= -516.94225016 a.u.
Kinetic Energy= 516.93940656 a.u.
Potential Energy= -1033.88165673 a.u.
Virial Ratio = -2.00000550