(1s 2 2s 2 2p 6 3s 2 3p 3 4s 1 ) 5 S Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 15.330948 | .04943435 |
| 2 | 2s | 5.927602 | -.21841307 |
| 3 | 3s | 3.077687 | .49928314 |
| 4 | 4s | 1.234508 | -.70636899 |
| 5 | 5s | 1.832758 | -.43519834 |
| 6 | 4s | 30.109809 | .00162666 |
| 7 | 5s | 40.847315 | -.00048150 |
| 8 | 2s | 17.674938 | .00389132 |
| 9 | 3s | .898059 | .07695958 |
| 10 | 2s | .480650 | -.00439731 |
| ORB.ENERGY,a.u. | -.681570 | ||
| NORM | 1.000000 | < R > | 3.398483 | < R2 > | 12.979130 | < 1/R > | .390264 | < 1/R**2 > | 1.125014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.618349 | .52994392 |
| 2 | 2p | 2.102004 | -1.18092115 |
| 3 | 3p | 10.887598 | -.05342236 |
| 4 | 4p | 5.865249 | .16341047 |
| 5 | 5p | 12.505283 | -.01468856 |
| 6 | 4p | 1.977569 | -.13869694 |
| 7 | 5p | 2.245220 | .07821074 |
| 8 | 2p | 30.525443 | .00009491 |
| 9 | 3p | 49.754577 | .00001398 |
| 10 | 3p | .628472 | -.00011322 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.409864 | < R2 > | 2.304258 | < 1/R > | .949927 | < 1/R**2 > | 1.978687 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.799878 | 2.14384142 |
| 2 | 1s | 19.236567 | .02411313 |
| 3 | 2s | 6.560219 | -1.27509355 |
| 4 | 3s | 1.562237 | -.09826697 |
| 5 | 4s | 5.492605 | -.44171359 |
| 6 | 5s | 8.824742 | -.12524350 |
| 7 | 4s | 1.475912 | .04668649 |
| 8 | 3s | 61.610029 | -.00010982 |
| 9 | 4s | 99.626010 | .00003191 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.315035 | < R2 > | 1.984777 | < 1/R > | 1.041692 | < 1/R**2 > | 6.390295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.813319 | .46343891 |
| 2 | 3p | 8.132828 | .46826081 |
| 3 | 4p | 6.742309 | .15221899 |
| 4 | 5p | 5.201429 | .00875814 |
| 5 | 2p | 16.544740 | .01663380 |
| 6 | 5p | 14.570562 | -.00785370 |
| 7 | 4p | 60.125804 | .00002774 |
| 8 | 3p | 2.418935 | .00037442 |
| 9 | 3p | 22.977933 | -.00109494 |
| 10 | 2p | 130.047721 | -.00000076 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374910 | < R2 > | .173903 | < 1/R > | 3.453051 | < 1/R**2 > | 16.551326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.454126 | .38544053 |
| 2 | 2s | 7.570473 | -.81247093 |
| 3 | 3s | 6.878942 | -.27981383 |
| 4 | 4s | 30.561852 | .00177143 |
| 5 | 3s | 17.230841 | .00807230 |
| 6 | 2s | 4.095589 | -.05729351 |
| 7 | 5s | 3.039876 | -.01253104 |
| 8 | 4s | 2.719455 | .01519685 |
| 9 | 3s | 1.069303 | -.00022330 |
| 10 | 5s | 79.615951 | .00000973 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411302 | < R2 > | .200136 | < 1/R > | 3.563238 | < 1/R**2 > | 52.190401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581241 | 1.00986077 |
| 2 | 2s | 22.361962 | -.01728847 |
| 3 | 3s | 14.947098 | .01750579 |
| 4 | 4s | 51.770718 | -.00051342 |
| 5 | 4s | 12.523421 | .00290332 |
| 6 | 5s | 61.834161 | .00011621 |
| 7 | 5s | 16.001036 | -.00407471 |
| 8 | 2s | 34.522014 | -.00228689 |
| 9 | 2s | 87.030313 | .00004103 |
| 10 | 5s | 2.124417 | -.00002898 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554795 | < 1/R**2 > | 621.210531 |
Total Energy= -524.53093850 a.u.
Kinetic Energy= 524.54498696 a.u.
Potential Energy= -1049.07592545 a.u.
Virial Ratio = -1.99997322