(1s 2 2s 2 2p 1 3p 1 ) 3 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p | 4.488813 | -1.39982504 |
| 2 | 2p | 12.352665 | .05718683 |
| 3 | 4p | 15.537819 | .01070111 |
| 4 | 5p | 4.072247 | .01953552 |
| 5 | 4p | 3.503237 | -.01307208 |
| 6 | 5p | 45.879587 | -.00008882 |
| 7 | 2p | 6.062443 | .74630905 |
| ORB.ENERGY,a.u. | -10.343000 | ||
| NORM | 1.000000 | < R > | .876832 | < R2 > | .881340 | < 1/R > | 1.562171 | < 1/R**2 > | 5.008062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.647396 | 1.07714351 |
| 2 | 3p | 8.942863 | -.09172455 |
| 3 | 2p | 18.918621 | .01114785 |
| 4 | 5p | 23.660206 | .00192871 |
| 5 | 5p | 8.023926 | .00494416 |
| 6 | 2p | 90.153584 | -.00000164 |
| ORB.ENERGY,a.u. | -26.479000 | ||
| NORM | 1.000000 | < R > | .319600 | < R2 > | .123488 | < 1/R > | 3.947469 | < 1/R**2 > | 21.027860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.390913 | .38848283 |
| 2 | 2s | 7.005102 | -.81589756 |
| 3 | 3s | 10.037907 | -.28644849 |
| 4 | 4s | 33.375225 | .00118319 |
| 5 | 5s | 19.325512 | -.00796429 |
| 6 | 5s | 7.981772 | .01491607 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372873 | < R2 > | .162668 | < 1/R > | 3.948122 | < 1/R**2 > | 63.011461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.199149 | .93993768 |
| 2 | 1s | 26.561905 | .05643668 |
| 3 | 2s | 16.191848 | .02006126 |
| 4 | 3s | 19.909120 | -.01398851 |
| 5 | 4s | 92.401676 | -.00004916 |
| 6 | 5s | 41.065560 | .00075183 |
| 7 | 5s | 5.255322 | -.00002135 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085434 | < R2 > | .009771 | < 1/R > | 17.640980 | < 1/R**2 > | 625.955601 |
Total Energy= -415.44812676 a.u.
Kinetic Energy= 415.53905511 a.u.
Potential Energy= -830.98718187 a.u.
Virial Ratio = -1.99978118