(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 14.206166 | .07058996 |
| 2 | 2s | 6.330139 | -.24777282 |
| 3 | 3s | 2.900336 | .79653531 |
| 4 | 4s | 1.494669 | -2.48009886 |
| 5 | 5s | 1.590891 | 1.29627889 |
| 6 | 5s | 19.209811 | -.00317040 |
| 7 | 4s | 7.922991 | -.03032110 |
| 8 | 3s | 41.850194 | .00010368 |
| 9 | 2s | .556716 | .00199099 |
| 10 | 4s | 71.417927 | -.00003310 |
| ORB.ENERGY,a.u. | -1.374000 | ||
| NORM | 1.000000 | < R > | 2.793016 | < R2 > | 8.725999 | < 1/R > | .484045 | < 1/R**2 > | 1.782546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.482937 | .38004332 |
| 2 | 2p | 1.886047 | -.37822565 |
| 3 | 3p | 2.927886 | -.76264922 |
| 4 | 2p | 10.471612 | .09422078 |
| 5 | 3p | 18.308095 | -.00231490 |
| 6 | 4p | 1.947608 | .02061608 |
| 7 | 4p | 28.508230 | .00011861 |
| 8 | 5p | 43.510094 | -.00007926 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.305399 | < R2 > | 1.962183 | < 1/R > | 1.031729 | < 1/R**2 > | 2.332330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.654787 | 2.65801495 |
| 2 | 1s | 19.311629 | .02434433 |
| 3 | 2s | 6.566203 | -1.40306121 |
| 4 | 3s | 1.754505 | -.90465873 |
| 5 | 4s | 5.654282 | -.52034316 |
| 6 | 5s | 8.958413 | -.11784530 |
| 7 | 4s | 1.872530 | .40013567 |
| 8 | 3s | 61.254910 | -.00014519 |
| 9 | 4s | 97.387739 | .00004514 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000001 | < R > | 1.240191 | < R2 > | 1.750787 | < 1/R > | 1.108505 | < 1/R**2 > | 7.274206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.425461 | .43561314 |
| 2 | 3p | 8.302652 | .49319823 |
| 3 | 5p | 5.943743 | .01548548 |
| 4 | 4p | 6.972222 | .15787386 |
| 5 | 2p | 23.607867 | .00212468 |
| 6 | 5p | 41.857493 | -.00014733 |
| 7 | 3p | 3.227145 | .00156306 |
| 8 | 4p | 122.270913 | .00000171 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373890 | < R2 > | .172816 | < 1/R > | 3.460176 | < 1/R**2 > | 16.610406 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.331574 | .39159563 |
| 2 | 2s | 7.642823 | -.82729926 |
| 3 | 3s | 7.018183 | -.29741461 |
| 4 | 4s | 26.124736 | .00367482 |
| 5 | 3s | 13.078801 | .01102175 |
| 6 | 4s | 6.250342 | -.03856679 |
| 7 | 5s | 4.203583 | -.00031248 |
| 8 | 4s | 36.923559 | .00055455 |
| 9 | 2s | 48.310709 | -.00008650 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409939 | < R2 > | .198636 | < 1/R > | 3.574416 | < 1/R**2 > | 52.488283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586119 | 1.00955686 |
| 2 | 2s | 22.931438 | -.01618807 |
| 3 | 3s | 15.909599 | .01520410 |
| 4 | 4s | 32.632988 | -.00071765 |
| 5 | 4s | 11.888095 | .00376658 |
| 6 | 5s | 43.287366 | .00038564 |
| 7 | 5s | 14.055281 | -.00255409 |
| 8 | 2s | 31.101424 | -.00307130 |
| 9 | 2s | 64.095977 | .00012038 |
| 10 | 5s | 1.794803 | -.00001164 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009952 | < 1/R > | 17.557090 | < 1/R**2 > | 621.336454 |
Total Energy= -520.35764396 a.u.
Kinetic Energy= 520.36392078 a.u.
Potential Energy= -1040.72156474 a.u.
Virial Ratio = -1.99998794