(1s 2 2s 2 2p 6 4d 1 ) 2 D Ar 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 2.364333 | 1.21069377 |
| 2 | 4d | 2.032247 | -1.76073003 |
| 3 | 3d | 4.982796 | .15923553 |
| 4 | 4d | 6.165639 | -.07618199 |
| 5 | 5d | 10.791969 | -.00305141 |
| 6 | 4d | 41.621783 | .00002596 |
| ORB.ENERGY,a.u. | -2.086500 | ||
| NORM | .999999 | < R > | 2.486494 | < R2 > | 7.108910 | < 1/R > | .542435 | < 1/R**2 > | .502726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.169124 | .45827282 |
| 2 | 3p | 8.309952 | .46516674 |
| 3 | 5p | 6.447673 | .01539772 |
| 4 | 4p | 7.129509 | .16012952 |
| 5 | 2p | 21.711739 | .00406900 |
| 6 | 5p | 15.474250 | -.00349567 |
| 7 | 4p | 65.455027 | .00003017 |
| 8 | 3p | 100.280113 | .00000336 |
| 9 | 5p | 2.381876 | -.00010568 |
| ORB.ENERGY,a.u. | -14.546000 | ||
| NORM | 1.000000 | < R > | .370583 | < R2 > | .169292 | < 1/R > | 3.483318 | < 1/R**2 > | 16.803751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.412081 | .38913575 |
| 2 | 2s | 7.561851 | -.84405943 |
| 3 | 3s | 6.715306 | -.30732977 |
| 4 | 4s | 30.335416 | .00161949 |
| 5 | 3s | 17.602833 | .00844408 |
| 6 | 2s | 6.458914 | .00346391 |
| 7 | 5s | 6.104763 | -.00175515 |
| 8 | 4s | 2.500288 | .00007020 |
| ORB.ENERGY,a.u. | -17.326000 | ||
| NORM | 1.000000 | < R > | .408805 | < R2 > | .197331 | < 1/R > | 3.582602 | < 1/R**2 > | 52.693569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.577265 | 1.01046901 |
| 2 | 2s | 23.136167 | -.01896765 |
| 3 | 3s | 15.591617 | .01582152 |
| 4 | 4s | 65.991002 | -.00052479 |
| 5 | 5s | 11.658028 | .00106043 |
| 6 | 5s | 82.684367 | .00017667 |
| 7 | 4s | 11.674877 | -.00084581 |
| 8 | 2s | 34.429827 | -.00081295 |
| 9 | 3s | 123.758285 | -.00001521 |
| 10 | 2s | 2.549259 | .00000748 |
| ORB.ENERGY,a.u. | -123.610000 |
| NORM | 1.000000 | < R > | .086057 | < R2 > | .009947 | < 1/R > | 17.559686 | < 1/R**2 > | 621.489060 |
Total Energy= -508.05826444 a.u.
Kinetic Energy= 508.05475282 a.u.
Potential Energy= -1016.11301727 a.u.
Virial Ratio = -2.00000691