(1s 2 2s 2 2p 6 3s 2 3p 5 4s 1 ) 1 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 8.401083 | .05009918 |
| 2 | 2s | 6.991687 | -.15751256 |
| 3 | 3s | 3.090974 | .15250517 |
| 4 | 4s | .926457 | -.49113539 |
| 5 | 5s | 1.667417 | -.13438611 |
| 6 | 3s | .558596 | -1.07033234 |
| 7 | 3s | 9.693946 | .04606646 |
| 8 | 5s | 18.524178 | -.00163929 |
| 9 | 2s | .479306 | .64790494 |
| ORB.ENERGY,a.u. | -.136590 | ||
| NORM | 1.000000 | < R > | 5.675057 | < R2 > | 36.719434 | < 1/R > | .215038 | < 1/R**2 > | .220031 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.195556 | .29405418 |
| 2 | 2p | 1.648558 | -.93129886 |
| 3 | 3p | 3.175410 | -.17888324 |
| 4 | 2p | 7.941259 | .18193729 |
| 5 | 3p | 9.767561 | -.05959165 |
| 6 | 4p | 27.841136 | -.00082564 |
| 7 | 4p | 1.209310 | -.03707326 |
| 8 | 5p | 59.056450 | -.00003960 |
| 9 | 3p | .952028 | .02609413 |
| 10 | 3p | 47.562804 | -.00005560 |
| 11 | 5p | .746804 | -.00089135 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.563229 | < R2 > | 2.882090 | < 1/R > | .861361 | < 1/R**2 > | 1.645793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.746704 | 2.29527292 |
| 2 | 1s | 20.528007 | .01625308 |
| 3 | 2s | 6.674439 | -1.23794463 |
| 4 | 3s | 3.285860 | -.28253438 |
| 5 | 4s | 5.757417 | -.42695851 |
| 6 | 5s | 9.072079 | -.11040116 |
| 7 | 2s | .451238 | -.00442508 |
| 8 | 3s | 50.320607 | -.00005353 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | .999999 | < R > | 1.379639 | < R2 > | 2.195267 | < 1/R > | .989812 | < 1/R**2 > | 5.737443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.930174 | .47301659 |
| 2 | 3p | 8.056840 | .47301921 |
| 3 | 4p | 6.732335 | .14367227 |
| 4 | 5p | 5.294269 | .01116294 |
| 5 | 2p | 20.930362 | .00547066 |
| 6 | 5p | 15.942883 | -.00567072 |
| 7 | 3p | 44.080602 | .00005605 |
| 8 | 3p | 2.032112 | .00181639 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375627 | < R2 > | .174737 | < 1/R > | 3.448599 | < 1/R**2 > | 16.515823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.338826 | .38942460 |
| 2 | 2s | 7.635230 | -.82067635 |
| 3 | 3s | 6.811523 | -.29462921 |
| 4 | 4s | 30.404947 | .00340983 |
| 5 | 3s | 14.301897 | .01388873 |
| 6 | 2s | 4.007866 | -.04591062 |
| 7 | 5s | 2.724354 | -.00763363 |
| 8 | 5s | 40.479516 | -.00051416 |
| 9 | 2s | 78.411201 | -.00000731 |
| 10 | 4s | 2.375993 | .00820106 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412079 | < R2 > | .201001 | < 1/R > | 3.556944 | < 1/R**2 > | 52.023038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580404 | 1.00987069 |
| 2 | 2s | 22.430088 | -.01729933 |
| 3 | 3s | 14.908203 | .01755743 |
| 4 | 4s | 51.035225 | -.00050573 |
| 5 | 4s | 12.556736 | .00288678 |
| 6 | 5s | 60.227440 | .00012320 |
| 7 | 5s | 15.992174 | -.00410157 |
| 8 | 2s | 34.415992 | -.00228289 |
| 9 | 2s | 84.938499 | .00004484 |
| 10 | 5s | 4.039463 | -.00003499 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553548 | < 1/R**2 > | 621.142668 |
Total Energy= -526.41472476 a.u.
Kinetic Energy= 526.41076032 a.u.
Potential Energy= -1052.82548508 a.u.
Virial Ratio = -2.00000753