(1s 2 2s 2 2p 5 4p 1 ) 3 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 8.727798 | .19960141 |
| 2 | 3p | 1.763860 | 2.50326889 |
| 3 | 4p | 3.682260 | -1.48091567 |
| 4 | 5p | 6.527261 | -.15959401 |
| 5 | 3p | 17.802669 | -.00240934 |
| 6 | 5p | 1.977099 | -.69295784 |
| 7 | 4p | 93.960635 | .00000292 |
| 8 | 4p | 1.326856 | .04604014 |
| 9 | 3p | 1.044216 | -.02584566 |
| ORB.ENERGY,a.u. | -2.960100 | ||
| NORM | 1.000000 | < R > | 2.186582 | < R2 > | 5.408530 | < 1/R > | .647493 | < 1/R**2 > | 1.226612 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.392644 | 1.16942148 |
| 2 | 3p | 7.539997 | -.23183069 |
| 3 | 2p | 14.027991 | .06105127 |
| 4 | 4p | 17.056030 | .00933269 |
| 5 | 5p | 2.701048 | -.00050130 |
| 6 | 4p | 4.680763 | .00130375 |
| 7 | 4p | 71.407758 | .00002106 |
| ORB.ENERGY,a.u. | -16.957000 | ||
| NORM | 1.000000 | < R > | .359168 | < R2 > | .158242 | < 1/R > | 3.573993 | < 1/R**2 > | 17.583394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.296830 | .40175771 |
| 2 | 2s | 7.701592 | -.84553883 |
| 3 | 3s | 7.133364 | -.30479769 |
| 4 | 4s | 13.299456 | .00404380 |
| 5 | 3s | 17.683236 | .01190656 |
| 6 | 5s | 38.506078 | .00072536 |
| 7 | 5s | 7.263107 | -.01235990 |
| 8 | 4s | 2.347819 | .00015280 |
| 9 | 3s | 74.980008 | -.00002607 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400996 | < R2 > | .189404 | < 1/R > | 3.654693 | < 1/R**2 > | 54.667995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.189878 | .93074328 |
| 2 | 1s | 25.199991 | .06462038 |
| 3 | 2s | 10.871388 | .02186055 |
| 4 | 3s | 13.367134 | -.02200662 |
| 5 | 4s | 16.550070 | .01074256 |
| 6 | 5s | 42.843719 | .00064621 |
| 7 | 4s | 96.059862 | -.00003619 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085963 | < R2 > | .009920 | < 1/R > | 17.571603 | < 1/R**2 > | 622.138160 |
Total Energy= -493.42624229 a.u.
Kinetic Energy= 493.43691273 a.u.
Potential Energy= -986.86315502 a.u.
Virial Ratio = -1.99997838