(1s 2 2s 2 2p 6 3s 2 3p 4 ) 1 S Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 5.847152 | .45745649 |
| 2 | 2p | 1.773866 | -.96493536 |
| 3 | 3p | 2.940356 | -.14352175 |
| 4 | 2p | 14.012067 | .02246573 |
| 5 | 4p | 9.770020 | -.04256796 |
| 6 | 5p | 40.624734 | -.00013343 |
| 7 | 3p | 31.813037 | -.00012397 |
| ORB.ENERGY,a.u. | -1.252700 | ||
| NORM | 1.000000 | < R > | 1.487337 | < R2 > | 2.586773 | < 1/R > | .905816 | < 1/R**2 > | 1.823231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.801907 | -.09560938 |
| 2 | 1s | 13.488319 | .17622624 |
| 3 | 2s | 5.903326 | -.41905833 |
| 4 | 3s | 2.760137 | .91558045 |
| 5 | 4s | 4.878267 | .14892915 |
| 6 | 3s | 19.986127 | .00313211 |
| 7 | 5s | 2.513195 | .07812933 |
| 8 | 4s | 59.732877 | -.00005442 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.340462 | < R2 > | 2.062375 | < 1/R > | 1.019157 | < 1/R**2 > | 6.097099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.815264 | .46030983 |
| 2 | 3p | 8.179782 | .47405962 |
| 3 | 4p | 6.690400 | .15661956 |
| 4 | 5p | 4.727416 | .00849684 |
| 5 | 2p | 17.434662 | .01473769 |
| 6 | 5p | 14.481428 | -.01214241 |
| 7 | 4p | 67.188077 | .00005420 |
| 8 | 5p | 2.561943 | .00149407 |
| 9 | 3p | 105.089412 | .00001246 |
| 10 | 2p | 179.446099 | .00000081 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .375719 | < R2 > | .174905 | < 1/R > | 3.448575 | < 1/R**2 > | 16.517270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.466639 | .38457577 |
| 2 | 2s | 7.563274 | -.81157794 |
| 3 | 3s | 6.882565 | -.27978884 |
| 4 | 4s | 30.704925 | .00158766 |
| 5 | 3s | 17.535715 | .00793828 |
| 6 | 2s | 3.986191 | -.05842177 |
| 7 | 5s | 3.049653 | -.01833847 |
| 8 | 4s | 2.687306 | .02228411 |
| 9 | 3s | 1.666947 | -.00077019 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411724 | < R2 > | .200603 | < 1/R > | 3.559790 | < 1/R**2 > | 52.098398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580741 | 1.00987045 |
| 2 | 2s | 22.387926 | -.01729963 |
| 3 | 3s | 14.932342 | .01752604 |
| 4 | 4s | 51.608643 | -.00051287 |
| 5 | 4s | 12.550194 | .00289534 |
| 6 | 5s | 61.798988 | .00011493 |
| 7 | 5s | 15.995679 | -.00407472 |
| 8 | 2s | 34.492221 | -.00228243 |
| 9 | 2s | 86.746882 | .00004170 |
| 10 | 5s | 3.725461 | -.00002658 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554120 | < 1/R**2 > | 621.173994 |
Total Energy= -525.30295358 a.u.
Kinetic Energy= 525.11826291 a.u.
Potential Energy= -1050.42121650 a.u.
Virial Ratio = -2.00035171