(1s 2 2s 2 2p 6 3s 2 3p 5 4p 1 ) 3 D Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | .402393 | 1.03411398 |
| 2 | 5p | .628023 | .12820102 |
| 3 | 4p | 4.038433 | -.10350996 |
| 4 | 2p | 7.849921 | .04172893 |
| 5 | 5p | 2.907503 | -.08489388 |
| 6 | 3p | 11.135863 | -.00479939 |
| 7 | 3p | 1.159078 | -.23755907 |
| 8 | 4p | 38.258842 | -.00003040 |
| ORB.ENERGY,a.u. | -.093930 | ||
| NORM | 1.000001 | < R > | 7.282798 | < R2 > | 60.481858 | < 1/R > | .166786 | < 1/R**2 > | .062450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.265019 | .30104605 |
| 2 | 2p | 1.662226 | -.92966928 |
| 3 | 3p | 3.155980 | -.17166038 |
| 4 | 2p | 7.890008 | .17957323 |
| 5 | 3p | 9.604559 | -.06511632 |
| 6 | 4p | 25.636862 | -.00095112 |
| 7 | 4p | 1.396094 | -.01718308 |
| 8 | 5p | 51.472061 | -.00003441 |
| 9 | 3p | .413328 | -.00096407 |
| 10 | 3p | 35.414462 | -.00015326 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.560682 | < R2 > | 2.871190 | < 1/R > | .862509 | < 1/R**2 > | 1.649731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286071 | .81281739 |
| 2 | 1s | 10.256264 | .17092176 |
| 3 | 2s | 5.407412 | -.67758900 |
| 4 | 3s | 2.826698 | .45068555 |
| 5 | 4s | 5.549684 | .05913115 |
| 6 | 2s | 10.385205 | -.15245199 |
| 7 | 2s | 16.736082 | -.00918087 |
| 8 | 5s | 1.822991 | -.05019367 |
| 9 | 4s | 31.173836 | .00061872 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382121 | < R2 > | 2.204753 | < 1/R > | .988311 | < 1/R**2 > | 5.720326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929894 | .47306317 |
| 2 | 3p | 8.056844 | .47297890 |
| 3 | 4p | 6.732859 | .14365523 |
| 4 | 5p | 5.297385 | .01115198 |
| 5 | 2p | 20.932282 | .00547063 |
| 6 | 5p | 15.947114 | -.00567458 |
| 7 | 3p | 44.040859 | .00005595 |
| 8 | 3p | 2.028361 | .00182263 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375614 | < R2 > | .174722 | < 1/R > | 3.448683 | < 1/R**2 > | 16.516505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343117 | .38923401 |
| 2 | 2s | 7.634480 | -.82053977 |
| 3 | 3s | 6.808077 | -.29466004 |
| 4 | 4s | 30.770600 | .00337363 |
| 5 | 3s | 14.438024 | .01383799 |
| 6 | 2s | 4.007188 | -.04579453 |
| 7 | 5s | 2.989748 | -.00536230 |
| 8 | 5s | 41.222805 | -.00056200 |
| 9 | 2s | 99.297316 | -.00000312 |
| 10 | 4s | 2.702424 | .00610568 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412095 | < R2 > | .201017 | < 1/R > | 3.556802 | < 1/R**2 > | 52.019106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580384 | 1.00987118 |
| 2 | 2s | 22.431384 | -.01729991 |
| 3 | 3s | 14.907685 | .01755814 |
| 4 | 4s | 51.028012 | -.00050577 |
| 5 | 4s | 12.558525 | .00288630 |
| 6 | 5s | 60.230245 | .00012309 |
| 7 | 5s | 15.991647 | -.00410157 |
| 8 | 2s | 34.414258 | -.00228263 |
| 9 | 2s | 84.916340 | .00004489 |
| 10 | 5s | 3.968996 | -.00003479 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553520 | < 1/R**2 > | 621.141251 |
Total Energy= -526.36682164 a.u.
Kinetic Energy= 526.36847379 a.u.
Potential Energy= -1052.73529543 a.u.
Virial Ratio = -1.99999686