(1s 2 2s 2 2p 6 3s 2 3p 3 4d 1 ) 3 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 1.449510 | .50959165 |
| 2 | 4d | .783780 | -.51278744 |
| 3 | 3d | 2.704244 | .34515849 |
| 4 | 4d | 3.251045 | -.18827921 |
| 5 | 5d | 2.487439 | -.06262241 |
| 6 | 5d | .948102 | -.56294152 |
| 7 | 3d | 8.237919 | .00725900 |
| ORB.ENERGY,a.u. | -.331800 | ||
| NORM | 1.000000 | < R > | 5.611704 | < R2 > | 36.985516 | < 1/R > | .266670 | < 1/R**2 > | .152285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.336204 | .59349519 |
| 2 | 2p | 1.951833 | -1.36480456 |
| 3 | 3p | 10.071747 | -.08819293 |
| 4 | 4p | 5.522170 | .12765450 |
| 5 | 5p | 11.213801 | -.02064859 |
| 6 | 3p | 1.934249 | .15127002 |
| 7 | 4p | 35.327047 | -.00020710 |
| 8 | 5p | 1.527797 | -.00182144 |
| 9 | 5p | 112.728609 | -.00000372 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.405821 | < R2 > | 2.285839 | < 1/R > | .951445 | < 1/R**2 > | 1.984143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.484260 | .55743188 |
| 2 | 1s | 14.139998 | .11682774 |
| 3 | 2s | 5.229590 | -.64609938 |
| 4 | 3s | 2.863126 | .68485656 |
| 5 | 4s | 5.561232 | .09095224 |
| 6 | 2s | 8.808401 | -.12393500 |
| 7 | 4s | 28.579955 | .00088658 |
| 8 | 2s | 28.256790 | -.00033746 |
| 9 | 5s | 1.979367 | -.02497948 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.309575 | < R2 > | 1.960982 | < 1/R > | 1.043735 | < 1/R**2 > | 6.405312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.804303 | .46250735 |
| 2 | 3p | 8.174419 | .47169748 |
| 3 | 4p | 6.715406 | .15566040 |
| 4 | 5p | 4.971081 | .00747404 |
| 5 | 2p | 17.323228 | .01485045 |
| 6 | 5p | 14.462949 | -.01163013 |
| 7 | 4p | 64.161898 | .00006881 |
| 8 | 5p | 2.732417 | .00031610 |
| 9 | 3p | 95.251762 | .00001959 |
| 10 | 2p | 147.031003 | .00000182 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374903 | < R2 > | .173919 | < 1/R > | 3.453330 | < 1/R**2 > | 16.554413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463369 | .38503255 |
| 2 | 2s | 7.567682 | -.81207025 |
| 3 | 3s | 6.889548 | -.27992573 |
| 4 | 4s | 30.673806 | .00159027 |
| 5 | 3s | 17.587286 | .00790101 |
| 6 | 2s | 3.936453 | -.05931757 |
| 7 | 5s | 3.226554 | -.02008942 |
| 8 | 4s | 2.888227 | .02547303 |
| 9 | 3s | 1.634892 | -.00033835 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411348 | < R2 > | .200187 | < 1/R > | 3.562866 | < 1/R**2 > | 52.180247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581305 | 1.00986003 |
| 2 | 2s | 22.361514 | -.01728788 |
| 3 | 3s | 14.947765 | .01750478 |
| 4 | 4s | 51.776743 | -.00051359 |
| 5 | 4s | 12.524134 | .00290320 |
| 6 | 5s | 61.827394 | .00011611 |
| 7 | 5s | 16.001408 | -.00407434 |
| 8 | 2s | 34.520868 | -.00228657 |
| 9 | 2s | 86.939466 | .00004111 |
| 10 | 5s | 3.464637 | -.00001819 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086091 | < R2 > | .009956 | < 1/R > | 17.554867 | < 1/R**2 > | 621.215079 |
Total Energy= -524.22703720 a.u.
Kinetic Energy= 524.19753935 a.u.
Potential Energy= -1048.42457655 a.u.
Virial Ratio = -2.00005627