(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 10.208102 | .10424104 |
| 2 | 2s | 9.098769 | -.18444503 |
| 3 | 3s | 2.925528 | .62476089 |
| 4 | 4s | 1.314548 | -2.71466941 |
| 5 | 5s | 1.423140 | 1.50944227 |
| 6 | 5s | 15.303773 | -.00586590 |
| 7 | 4s | 8.255440 | -.11716752 |
| 8 | 3s | 23.916510 | .00085975 |
| 9 | 2s | .838649 | .13612536 |
| 10 | 4s | 60.808023 | -.00003236 |
| ORB.ENERGY,a.u. | -1.216700 | ||
| NORM | 1.000000 | < R > | 3.045369 | < R2 > | 10.391250 | < 1/R > | .440101 | < 1/R**2 > | 1.457018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.230885 | .46251696 |
| 2 | 2p | 2.053243 | -.86720748 |
| 3 | 3p | 3.006039 | -.38030481 |
| 4 | 2p | 10.487155 | .08928399 |
| 5 | 4p | 4.507681 | .07070679 |
| 6 | 3p | 18.198579 | -.00210527 |
| 7 | 5p | 1.598014 | -.00093323 |
| 8 | 5p | 47.568100 | -.00004435 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.355040 | < R2 > | 2.120329 | < 1/R > | .991037 | < 1/R**2 > | 2.154021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.585594 | 2.44443347 |
| 2 | 1s | 18.075252 | .03361261 |
| 3 | 2s | 6.472141 | -1.29161128 |
| 4 | 3s | 1.813626 | -.60880517 |
| 5 | 4s | 5.506559 | -.43424998 |
| 6 | 5s | 8.736278 | -.11429126 |
| 7 | 4s | 1.855036 | .15667128 |
| 8 | 3s | 61.606771 | -.00020958 |
| 9 | 4s | 95.298082 | .00007336 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.276513 | < R2 > | 1.861586 | < 1/R > | 1.074654 | < 1/R**2 > | 6.819108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.885879 | -.02047343 |
| 2 | 2p | 3.791195 | .06614542 |
| 3 | 2p | 15.937524 | .15443266 |
| 4 | 3p | 12.497608 | .42294871 |
| 5 | 4p | 9.799579 | .39668856 |
| 6 | 5p | 7.871623 | .12833866 |
| 7 | 5p | 17.650311 | -.00513198 |
| 8 | 3p | 44.759532 | .00005809 |
| 9 | 3p | 2.156138 | .01374130 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374536 | < R2 > | .173514 | < 1/R > | 3.455768 | < 1/R**2 > | 16.574154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440863 | .38650162 |
| 2 | 2s | 7.560401 | -.82717189 |
| 3 | 3s | 6.832888 | -.28879046 |
| 4 | 4s | 30.555720 | .00179576 |
| 5 | 3s | 17.162201 | .00828688 |
| 6 | 2s | 2.736279 | -.05804730 |
| 7 | 4s | 3.692255 | .02922808 |
| 8 | 5s | 2.830779 | .00124551 |
| 9 | 5s | 79.417685 | .00001062 |
| 10 | 3s | .808330 | -.00003937 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410691 | < R2 > | .199462 | < 1/R > | 3.568234 | < 1/R**2 > | 52.323452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572760 | 1.01064357 |
| 2 | 2s | 23.214742 | -.01614136 |
| 3 | 3s | 14.062158 | .01750614 |
| 4 | 4s | 35.447214 | -.00051510 |
| 5 | 4s | 11.840565 | .00190823 |
| 6 | 5s | 44.531939 | .00039359 |
| 7 | 5s | 15.700081 | -.00472062 |
| 8 | 2s | 30.301882 | -.00325242 |
| 9 | 2s | 68.243773 | .00008494 |
| 10 | 5s | 1.946969 | -.00002278 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555819 | < 1/R**2 > | 621.266584 |
Total Energy= -522.70744431 a.u.
Kinetic Energy= 522.71859569 a.u.
Potential Energy= -1045.42604001 a.u.
Virial Ratio = -1.99997867