(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .471137 | .11169822 |
| 2 | 5p | 1.185501 | .39462342 |
| 3 | 4p | 3.943506 | -.08837498 |
| 4 | 2p | 7.216415 | .04571161 |
| 5 | 5p | 2.676490 | -.11898940 |
| 6 | 3p | 9.882564 | -.00881330 |
| 7 | 3p | .599871 | -.45665042 |
| 8 | 4p | .766204 | .99706438 |
| 9 | 4p | 40.633981 | -.00003760 |
| ORB.ENERGY,a.u. | -.460420 | ||
| NORM | 1.000000 | < R > | 5.452797 | < R2 > | 32.694743 | < 1/R > | .209321 | < 1/R**2 > | .072617 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.906664 | .92339473 |
| 2 | 2p | 1.993377 | -1.17144672 |
| 3 | 3p | 4.618641 | -.45490157 |
| 4 | 2p | 10.523578 | .08052521 |
| 5 | 3p | 18.925386 | -.00179026 |
| 6 | 5p | 2.258262 | -.05744711 |
| 7 | 4p | 3.768299 | -.02231672 |
| 8 | 5p | .965361 | .02046625 |
| 9 | 5p | 16.526095 | -.00008752 |
| 10 | 4p | 85.336020 | .00000418 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.467131 | < R2 > | 2.503343 | < 1/R > | .911699 | < 1/R**2 > | 1.828464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.436985 | .76872447 |
| 2 | 1s | 9.978542 | .18055359 |
| 3 | 2s | 5.338033 | -.73200486 |
| 4 | 3s | 2.824796 | .52759562 |
| 5 | 4s | 5.857433 | .06901200 |
| 6 | 2s | 10.542830 | -.16906109 |
| 7 | 2s | 18.481177 | -.00536259 |
| 8 | 5s | 1.930981 | -.03354274 |
| 9 | 4s | 30.539274 | .00054273 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.342912 | < R2 > | 2.069855 | < 1/R > | 1.016926 | < 1/R**2 > | 6.067620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897304 | .47265614 |
| 2 | 3p | 8.063516 | .47427640 |
| 3 | 4p | 6.703853 | .14357789 |
| 4 | 5p | 5.273013 | .00967821 |
| 5 | 2p | 20.018006 | .00691079 |
| 6 | 5p | 15.406506 | -.00705892 |
| 7 | 3p | 48.280248 | .00003765 |
| 8 | 3p | 2.177172 | .00127910 |
| 9 | 4p | .672922 | .00007534 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375313 | < R2 > | .174371 | < 1/R > | 3.450539 | < 1/R**2 > | 16.531315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489362 | .38360934 |
| 2 | 2s | 7.544691 | -.80325017 |
| 3 | 3s | 6.938132 | -.26220267 |
| 4 | 4s | 30.397667 | .00160376 |
| 5 | 3s | 17.932230 | .00715565 |
| 6 | 2s | 4.311291 | -.08028381 |
| 7 | 5s | 3.292550 | -.01145647 |
| 8 | 4s | 2.976946 | .01400750 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411796 | < R2 > | .200681 | < 1/R > | 3.559201 | < 1/R**2 > | 52.082716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580773 | 1.00986098 |
| 2 | 2s | 22.413802 | -.01728848 |
| 3 | 3s | 14.918890 | .01754301 |
| 4 | 4s | 51.116627 | -.00050656 |
| 5 | 4s | 12.554875 | .00288722 |
| 6 | 5s | 60.161172 | .00012272 |
| 7 | 5s | 16.004204 | -.00409521 |
| 8 | 2s | 34.434821 | -.00228466 |
| 9 | 2s | 85.505942 | .00004386 |
| 10 | 5s | 3.827973 | -.00002777 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.553987 | < 1/R**2 > | 621.166700 |
Total Energy= -525.58223271 a.u.
Kinetic Energy= 525.50106182 a.u.
Potential Energy= -1051.08329453 a.u.
Virial Ratio = -2.00015446