(1s 2 2s 2 2p 3 3d 1 ) 5 D Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 3.770620 | 1.14808002 |
| 2 | 3d | 8.210603 | .04776144 |
| 3 | 4d | 4.240924 | -.17544059 |
| 4 | 5d | 26.831589 | -.00019139 |
| 5 | 5d | 3.662239 | -.01024866 |
| 6 | 4d | 78.547661 | .00000151 |
| ORB.ENERGY,a.u. | -7.091000 | ||
| NORM | 1.000000 | < R > | .879135 | < R2 > | .893093 | < 1/R > | 1.347520 | < 1/R**2 > | 2.225612 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.213463 | 1.27080014 |
| 2 | 3p | 9.245745 | -.32984715 |
| 3 | 4p | 11.582001 | .05579634 |
| 4 | 5p | 6.580324 | .00755923 |
| 5 | 4p | 30.245010 | -.00154517 |
| 6 | 3p | 39.560536 | -.00021298 |
| 7 | 4p | 6.612467 | -.00377561 |
| ORB.ENERGY,a.u. | -21.497000 | ||
| NORM | 1.000000 | < R > | .338685 | < R2 > | .139642 | < 1/R > | 3.755004 | < 1/R**2 > | 19.202223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.079420 | .42699659 |
| 2 | 2s | 7.912002 | -.87006201 |
| 3 | 3s | 7.649636 | -.29199150 |
| 4 | 4s | 30.594673 | .00179576 |
| 5 | 3s | 16.536464 | .01540704 |
| 6 | 5s | 7.536804 | -.01366995 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .386895 | < R2 > | .175728 | < 1/R > | 3.796036 | < 1/R**2 > | 58.630686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185439 | .94510019 |
| 2 | 1s | 26.901296 | .05233873 |
| 3 | 2s | 15.429931 | .01873915 |
| 4 | 3s | 21.570398 | -.01475468 |
| 5 | 4s | 32.498633 | .00255425 |
| 6 | 5s | 60.921027 | .00010813 |
| 7 | 5s | 12.631918 | .00042741 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085707 | < R2 > | .009848 | < 1/R > | 17.604995 | < 1/R**2 > | 623.973728 |
Total Energy= -460.19400444 a.u.
Kinetic Energy= 460.27498097 a.u.
Potential Energy= -920.46898540 a.u.
Virial Ratio = -1.99982407