(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 4 S Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 4p | .906310 | .80838300 |
| 2 | 5p | .576745 | -1.25020481 |
| 3 | 3p | 2.995582 | -.13318715 |
| 4 | 2p | 11.213444 | .00891582 |
| 5 | 2p | 5.850137 | .04642080 |
| 6 | 5p | 2.603949 | -.05904992 |
| 7 | 3p | 23.420871 | -.00011468 |
| ORB.ENERGY,a.u. | -.329990 | ||
| NORM | .999999 | < R > | 10.047979 | < R2 > | 113.281116 | < 1/R > | .130197 | < 1/R**2 > | .054824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.873423 | .95847370 |
| 2 | 2p | 2.026155 | -1.21885833 |
| 3 | 3p | 4.594318 | -.46073750 |
| 4 | 2p | 10.523307 | .08065388 |
| 5 | 3p | 18.962265 | -.00174897 |
| 6 | 4p | 1.919275 | -.05929752 |
| 7 | 5p | 2.162036 | -.03970608 |
| 8 | 5p | .537285 | -.00140303 |
| 9 | 3p | 1.590076 | .04005797 |
| 10 | 4p | 87.661677 | .00000405 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.472552 | < R2 > | 2.526262 | < 1/R > | .909957 | < 1/R**2 > | 1.824073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437665 | .76862546 |
| 2 | 1s | 9.980692 | .18056798 |
| 3 | 2s | 5.338351 | -.73211751 |
| 4 | 3s | 2.827359 | .52778748 |
| 5 | 4s | 5.848173 | .06877663 |
| 6 | 2s | 10.542314 | -.16916777 |
| 7 | 2s | 18.476132 | -.00535400 |
| 8 | 5s | 1.937142 | -.03303156 |
| 9 | 4s | 30.461166 | .00055389 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.342559 | < R2 > | 2.068955 | < 1/R > | 1.017305 | < 1/R**2 > | 6.072627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897923 | .47257461 |
| 2 | 3p | 8.064391 | .47427208 |
| 3 | 4p | 6.705184 | .14353767 |
| 4 | 5p | 5.296947 | .00962322 |
| 5 | 2p | 20.011775 | .00691780 |
| 6 | 5p | 15.407872 | -.00705569 |
| 7 | 3p | 48.524437 | .00003735 |
| 8 | 3p | 2.275329 | .00146966 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375315 | < R2 > | .174375 | < 1/R > | 3.450552 | < 1/R**2 > | 16.531491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489317 | .38361984 |
| 2 | 2s | 7.544762 | -.80325651 |
| 3 | 3s | 6.938538 | -.26219934 |
| 4 | 4s | 30.401613 | .00159813 |
| 5 | 3s | 17.935264 | .00715953 |
| 6 | 2s | 4.311251 | -.08028336 |
| 7 | 5s | 3.288003 | -.01147138 |
| 8 | 4s | 2.973601 | .01403279 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411785 | < R2 > | .200669 | < 1/R > | 3.559288 | < 1/R**2 > | 52.084979 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580790 | 1.00986068 |
| 2 | 2s | 22.413037 | -.01728819 |
| 3 | 3s | 14.919377 | .01754243 |
| 4 | 4s | 51.121564 | -.00050658 |
| 5 | 4s | 12.554312 | .00288740 |
| 6 | 5s | 60.163015 | .00012275 |
| 7 | 5s | 16.004347 | -.00409522 |
| 8 | 2s | 34.435556 | -.00228478 |
| 9 | 2s | 85.508912 | .00004384 |
| 10 | 5s | 3.825056 | -.00002755 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.554009 | < 1/R**2 > | 621.167927 |
Total Energy= -525.45198513 a.u.
Kinetic Energy= 525.44814922 a.u.
Potential Energy= -1050.90013435 a.u.
Virial Ratio = -2.00000730