(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 4 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 1.331382 | .97987883 |
| 2 | 4d | 1.444623 | -.54672441 |
| 3 | 3d | 2.584600 | .94515392 |
| 4 | 4d | 3.172164 | -.46199259 |
| 5 | 5d | 3.741003 | .08176542 |
| 6 | 3d | 7.998488 | .01903936 |
| 7 | 4d | 55.760299 | .00000471 |
| ORB.ENERGY,a.u. | -1.505900 | ||
| NORM | 1.000000 | < R > | 1.630194 | < R2 > | 3.161457 | < 1/R > | .753579 | < 1/R**2 > | .729848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.299866 | .42446191 |
| 2 | 2p | 1.925632 | -.87137516 |
| 3 | 3p | 2.943706 | -.35660500 |
| 4 | 2p | 10.519627 | .08538625 |
| 5 | 4p | 4.165407 | .06464321 |
| 6 | 3p | 19.045073 | -.00186254 |
| 7 | 4p | 84.394337 | .00000458 |
| 8 | 5p | 2.117367 | .01953486 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.390292 | < R2 > | 2.234169 | < 1/R > | .963129 | < 1/R**2 > | 2.034049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.109095 | -.39091240 |
| 2 | 1s | 13.025859 | .19992667 |
| 3 | 1s | 73.431002 | .00005851 |
| 4 | 2s | 6.358604 | -.21826630 |
| 5 | 3s | 2.898956 | 1.01108312 |
| 6 | 4s | 5.082657 | .18008613 |
| 7 | 3s | 39.973489 | -.00051983 |
| 8 | 5s | 2.660787 | .06550536 |
| 9 | 2s | 1.286062 | -.00186242 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.298839 | < R2 > | 1.927773 | < 1/R > | 1.053174 | < 1/R**2 > | 6.527232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.928434 | -.02079709 |
| 2 | 2p | 3.756361 | .06591789 |
| 3 | 2p | 15.935106 | .15462671 |
| 4 | 3p | 12.497991 | .42326240 |
| 5 | 4p | 9.797925 | .39701422 |
| 6 | 5p | 7.867703 | .12852532 |
| 7 | 5p | 17.668143 | -.00500198 |
| 8 | 3p | 44.862902 | .00005716 |
| 9 | 3p | 2.181889 | .01338348 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374501 | < R2 > | .173507 | < 1/R > | 3.456454 | < 1/R**2 > | 16.581670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.437853 | .38646305 |
| 2 | 2s | 7.560948 | -.82620518 |
| 3 | 3s | 6.829810 | -.28581296 |
| 4 | 4s | 30.556509 | .00176273 |
| 5 | 3s | 17.212634 | .00833083 |
| 6 | 2s | 3.149334 | -.05199352 |
| 7 | 4s | 3.804355 | .01963106 |
| 8 | 5s | 2.878155 | -.00195708 |
| 9 | 4s | 2.020551 | .00351226 |
| 10 | 3s | 1.629566 | -.00263953 |
| 11 | 5s | 79.686778 | .00000896 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410914 | < R2 > | .199726 | < 1/R > | 3.566657 | < 1/R**2 > | 52.282474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.573112 | 1.01063818 |
| 2 | 2s | 23.202341 | -.01613514 |
| 3 | 3s | 14.070668 | .01749299 |
| 4 | 4s | 35.470604 | -.00051475 |
| 5 | 4s | 11.820249 | .00191314 |
| 6 | 5s | 44.512235 | .00039420 |
| 7 | 5s | 15.707197 | -.00471846 |
| 8 | 2s | 30.315852 | -.00325427 |
| 9 | 2s | 68.318305 | .00008481 |
| 10 | 5s | 3.585054 | -.00001006 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086081 | < R2 > | .009953 | < 1/R > | 17.556261 | < 1/R**2 > | 621.292343 |
Total Energy= -522.93900072 a.u.
Kinetic Energy= 523.01285981 a.u.
Potential Energy= -1045.95186053 a.u.
Virial Ratio = -1.99985878