(1s 2 2s 2 2p 2 3d 1 ) 2 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3.955228 | 1.08233215 |
| 2 | 3d | 9.816806 | .01847976 |
| 3 | 4d | 4.281852 | -.08865711 |
| 4 | 5d | 17.901031 | .00054312 |
| 5 | 5d | 3.853844 | -.00884500 |
| 6 | 4d | 48.646032 | .00001699 |
| ORB.ENERGY,a.u. | -8.056100 | ||
| NORM | 1.000000 | < R > | .859255 | < R2 > | .847412 | < 1/R > | 1.367111 | < 1/R**2 > | 2.267829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.214340 | 1.15585645 |
| 2 | 3p | 8.278203 | -.17862486 |
| 3 | 2p | 17.126050 | .01919327 |
| 4 | 4p | 18.754136 | .00386574 |
| 5 | 5p | 40.884406 | -.00021743 |
| 6 | 5p | 7.416043 | -.00360570 |
| 7 | 4p | 7.290304 | .00114958 |
| ORB.ENERGY,a.u. | -23.497000 | ||
| NORM | 1.000000 | < R > | .327959 | < R2 > | .130346 | < 1/R > | 3.858672 | < 1/R**2 > | 20.168249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.051540 | .43694821 |
| 2 | 2s | 7.992659 | -.87159864 |
| 3 | 3s | 8.128748 | -.28736504 |
| 4 | 4s | 30.330767 | .00194193 |
| 5 | 3s | 16.668925 | .01577451 |
| 6 | 5s | 7.965848 | -.02104442 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .379623 | < R2 > | .168881 | < 1/R > | 3.873298 | < 1/R**2 > | 60.840756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683343 |
| 2 | 1s | 25.713343 | .07171363 |
| 3 | 2s | 15.763570 | .01937314 |
| 4 | 3s | 19.685774 | -.01555017 |
| 5 | 5s | 42.475248 | .00077873 |
| 6 | 4s | 99.516487 | -.00003394 |
| 7 | 5s | 12.574173 | .00023692 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085563 | < R2 > | .009808 | < 1/R > | 17.624022 | < 1/R**2 > | 625.023139 |
Total Energy= -438.68130741 a.u.
Kinetic Energy= 438.45224433 a.u.
Potential Energy= -877.13355174 a.u.
Virial Ratio = -2.00052244