(1s 2 2s 2 2p 6 3s 2 3p 5 5p 1 ) 3 S Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 2p | 1.872984 | -.11995242 |
| 2 | 2p | .226186 | -.47893236 |
| 3 | 4p | .603182 | .54025737 |
| 4 | 5p | .362940 | -.80664224 |
| 5 | 3p | 1.079412 | -.07181889 |
| 6 | 3p | .769056 | .36199266 |
| 7 | 2p | 5.284746 | .04312856 |
| 8 | 2p | 10.712503 | .00731846 |
| 9 | 4p | 30.516573 | -.00006767 |
| ORB.ENERGY,a.u. | -.047110 | ||
| NORM | .999999 | < R > | 15.207870 | < R2 > | 261.345182 | < 1/R > | .087086 | < 1/R**2 > | .025675 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.184533 | .29592165 |
| 2 | 2p | 1.654872 | -.93007753 |
| 3 | 3p | 3.186380 | -.17781531 |
| 4 | 2p | 7.953572 | .18161419 |
| 5 | 3p | 9.774351 | -.05905381 |
| 6 | 4p | 27.522664 | -.00079460 |
| 7 | 4p | 1.337247 | -.01320126 |
| 8 | 5p | .340214 | .00202489 |
| 9 | 3p | 41.291629 | -.00013876 |
| 10 | 3p | 52.548506 | .00003143 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559974 | < R2 > | 2.868516 | < 1/R > | .862784 | < 1/R**2 > | 1.650577 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286475 | .81281759 |
| 2 | 1s | 10.257242 | .17094223 |
| 3 | 2s | 5.407670 | -.67769841 |
| 4 | 3s | 2.827848 | .45082441 |
| 5 | 4s | 5.545811 | .05901574 |
| 6 | 2s | 10.383923 | -.15251969 |
| 7 | 2s | 16.739235 | -.00918159 |
| 8 | 5s | 1.819852 | -.05028579 |
| 9 | 4s | 31.169772 | .00061833 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381725 | < R2 > | 2.203326 | < 1/R > | .988582 | < 1/R**2 > | 5.723553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929682 | .47309505 |
| 2 | 3p | 8.056844 | .47295033 |
| 3 | 4p | 6.733098 | .14364414 |
| 4 | 5p | 5.300258 | .01114277 |
| 5 | 2p | 20.933388 | .00547057 |
| 6 | 5p | 15.948666 | -.00567583 |
| 7 | 3p | 44.020701 | .00005592 |
| 8 | 3p | 2.029797 | .00182073 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375605 | < R2 > | .174713 | < 1/R > | 3.448736 | < 1/R**2 > | 16.516930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343224 | .38923524 |
| 2 | 2s | 7.634498 | -.82053844 |
| 3 | 3s | 6.808222 | -.29465787 |
| 4 | 4s | 30.776361 | .00337384 |
| 5 | 3s | 14.438993 | .01383778 |
| 6 | 2s | 4.007779 | -.04579047 |
| 7 | 5s | 2.987273 | -.00536761 |
| 8 | 5s | 41.226427 | -.00056194 |
| 9 | 2s | 101.734142 | -.00000300 |
| 10 | 4s | 2.700905 | .00610996 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412088 | < R2 > | .201010 | < 1/R > | 3.556852 | < 1/R**2 > | 52.020438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580390 | 1.00987111 |
| 2 | 2s | 22.431007 | -.01729984 |
| 3 | 3s | 14.907907 | .01755785 |
| 4 | 4s | 51.030232 | -.00050578 |
| 5 | 4s | 12.558154 | .00288641 |
| 6 | 5s | 60.230809 | .00012310 |
| 7 | 5s | 15.991738 | -.00410157 |
| 8 | 2s | 34.414606 | -.00228269 |
| 9 | 2s | 84.919854 | .00004488 |
| 10 | 5s | 3.966321 | -.00003471 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553529 | < 1/R**2 > | 621.141742 |
Total Energy= -526.31868914 a.u.
Kinetic Energy= 526.32162907 a.u.
Potential Energy= -1052.64031821 a.u.
Virial Ratio = -1.99999441