(1s 2 2s 2 2p 1 3d 1 ) 3 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 4.374687 | .93071225 |
| 2 | 3d | 8.831614 | .03889700 |
| 3 | 4d | 6.623714 | .04985766 |
| 4 | 5d | 23.553769 | -.00024226 |
| 5 | 5d | 4.394160 | -.00675061 |
| 6 | 4d | 59.819674 | .00001037 |
| ORB.ENERGY,a.u. | -9.654000 | ||
| NORM | 1.000000 | < R > | .776780 | < R2 > | .692879 | < 1/R > | 1.511922 | < 1/R**2 > | 2.768820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.611485 | 1.09389762 |
| 2 | 3p | 9.190435 | -.10393086 |
| 3 | 2p | 19.329402 | .00955524 |
| 4 | 5p | 23.692002 | .00184646 |
| 5 | 4p | 4.398171 | -.00032077 |
| 6 | 2p | 86.911933 | -.00000196 |
| ORB.ENERGY,a.u. | -26.245000 | ||
| NORM | 1.000000 | < R > | .320670 | < R2 > | .124283 | < 1/R > | 3.934518 | < 1/R**2 > | 20.897586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.406451 | .38795744 |
| 2 | 2s | 6.994021 | -.81469641 |
| 3 | 3s | 10.079182 | -.28570330 |
| 4 | 4s | 33.669823 | .00105317 |
| 5 | 5s | 19.544194 | -.00868893 |
| 6 | 5s | 7.746678 | .01396997 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372836 | < R2 > | .162655 | < 1/R > | 3.948769 | < 1/R**2 > | 63.025955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.205291 | .93946878 |
| 2 | 1s | 26.410405 | .05705174 |
| 3 | 2s | 15.843099 | .02004490 |
| 4 | 3s | 19.362543 | -.01412949 |
| 5 | 4s | 86.443796 | -.00006183 |
| 6 | 5s | 41.377725 | .00061137 |
| 7 | 5s | 10.217506 | .00005025 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085400 | < R2 > | .009763 | < 1/R > | 17.646007 | < 1/R**2 > | 626.241391 |
Total Energy= -414.88440346 a.u.
Kinetic Energy= 414.86353164 a.u.
Potential Energy= -829.74793510 a.u.
Virial Ratio = -2.00005031