(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 3 D Ar 4+
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 | 8.004528 | .01530979 |
| 2 | 4d | 60.501702 | .00000255 |
| 3 | 3d | 1.254029 | 1.32929310 |
| 4 | 4d | 1.377876 | -2.62930453 |
| 5 | 3d | 2.378090 | .83579458 |
| 6 | 4d | 2.856430 | -.41092219 |
| 7 | 5d | 4.628850 | -.03614603 |
| 8 | 5d | 1.539092 | .33545993 |
| ORB.ENERGY,a.u. | -.917160 | ||
| NORM | 1.000001 | < R > | 3.493139 | < R2 > | 14.047267 | < 1/R > | .393318 | < 1/R**2 > | .284862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.602173 | .37499817 |
| 2 | 2p | 2.192089 | -.31374713 |
| 3 | 3p | 2.758896 | -.74462471 |
| 4 | 2p | 10.598161 | .08905114 |
| 5 | 3p | 19.561618 | -.00177904 |
| 6 | 4p | 3.998797 | -.05769808 |
| 7 | 5p | 7.841271 | -.00284710 |
| 8 | 4p | 79.345752 | .00000610 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.305037 | < R2 > | 1.957567 | < 1/R > | 1.030202 | < 1/R**2 > | 2.322903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.088198 | -.24656494 |
| 2 | 1s | 13.088233 | .20509569 |
| 3 | 1s | 73.514199 | .00005926 |
| 4 | 2s | 6.044270 | -.33393785 |
| 5 | 3s | 2.856800 | 1.11152790 |
| 6 | 4s | 4.889040 | .12784230 |
| 7 | 3s | 40.448058 | -.00051608 |
| 8 | 5s | 3.212825 | -.09501340 |
| 9 | 2s | 1.432594 | .00258990 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.239601 | < R2 > | 1.746355 | < 1/R > | 1.107425 | < 1/R**2 > | 7.250237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.424859 | .43590866 |
| 2 | 3p | 8.302428 | .49300046 |
| 3 | 5p | 5.938551 | .01549763 |
| 4 | 4p | 6.971528 | .15783373 |
| 5 | 2p | 23.612672 | .00211440 |
| 6 | 5p | 41.772413 | -.00015276 |
| 7 | 3p | 3.086056 | .00160404 |
| 8 | 4p | 126.755070 | .00000164 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373846 | < R2 > | .172789 | < 1/R > | 3.460751 | < 1/R**2 > | 16.616258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329584 | .39159484 |
| 2 | 2s | 7.642588 | -.82733266 |
| 3 | 3s | 7.015297 | -.29746757 |
| 4 | 4s | 26.094174 | .00364090 |
| 5 | 3s | 13.043161 | .01104245 |
| 6 | 4s | 6.240550 | -.03864687 |
| 7 | 5s | 4.181840 | -.00028664 |
| 8 | 4s | 36.672863 | .00056334 |
| 9 | 2s | 47.216865 | -.00009470 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410027 | < R2 > | .198732 | < 1/R > | 3.573671 | < 1/R**2 > | 52.467606 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586276 | 1.00955449 |
| 2 | 2s | 22.926474 | -.01618528 |
| 3 | 3s | 15.913882 | .01519953 |
| 4 | 4s | 32.623026 | -.00071716 |
| 5 | 4s | 11.940054 | .00373927 |
| 6 | 5s | 43.219658 | .00038422 |
| 7 | 5s | 14.125839 | -.00252312 |
| 8 | 2s | 31.105174 | -.00307294 |
| 9 | 2s | 64.125627 | .00012044 |
| 10 | 5s | 2.435795 | -.00000276 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086073 | < R2 > | .009951 | < 1/R > | 17.557272 | < 1/R**2 > | 621.347560 |
Total Energy= -519.90527306 a.u.
Kinetic Energy= 519.91107047 a.u.
Potential Energy= -1039.81634354 a.u.
Virial Ratio = -1.99998885