(1s 2 2s 2 2p 1 5d 1 ) 3 D O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | .746829 | 1.68461234 |
| 2 | 4d | .671887 | -4.11693259 |
| 3 | 5d | .597217 | 3.07213733 |
| 4 | 3d | 2.738346 | .02399506 |
| 5 | 5d | 2.311218 | .02280626 |
| 6 | 4d | 15.739082 | .00003263 |
| 7 | 5d | .395714 | -.00546475 |
| ORB.ENERGY,a.u. | -.185050 | ||
| NORM | .999991 | < R > | 11.143720 | < R2 > | 141.160351 | < 1/R > | .126054 | < 1/R**2 > | .033758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.612467 | .87331363 |
| 2 | 2p | 4.399079 | .13527432 |
| 3 | 2p | 9.524938 | .00725219 |
| 4 | 3p | 3.610797 | -.00662795 |
| 5 | 4p | 2.473218 | .02053902 |
| 6 | 4p | 12.882624 | -.00073238 |
| 7 | 5p | 1.014620 | .00015053 |
| ORB.ENERGY,a.u. | -2.694100 | ||
| NORM | 1.000000 | < R > | .909137 | < R2 > | 1.011764 | < 1/R > | 1.410496 | < 1/R**2 > | 2.744022 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.278404 | .28861937 |
| 2 | 2s | 2.437470 | -.76173171 |
| 3 | 3s | 4.070672 | -.28657929 |
| 4 | 4s | 14.579540 | .00228899 |
| 5 | 5s | 8.241649 | -.01906956 |
| 6 | 5s | 2.715803 | .03096195 |
| 7 | 4s | 27.915212 | .00005143 |
| 8 | 4s | 2.209574 | -.00733998 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983310 | < R2 > | 1.139187 | < 1/R > | 1.460959 | < 1/R**2 > | 8.641968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355077 | .73314119 |
| 2 | 1s | 10.723549 | .19847985 |
| 3 | 1s | 3.595634 | .00393756 |
| 4 | 2s | 7.717437 | .09865706 |
| 5 | 3s | 8.680952 | -.02316608 |
| 6 | 4s | 14.552321 | .00527869 |
| 7 | 5s | 28.255789 | .00014984 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197790 | < R2 > | .052603 | < 1/R > | 7.660439 | < 1/R**2 > | 118.807594 |
Total Energy= -71.28045255 a.u.
Kinetic Energy= 71.27975304 a.u.
Potential Energy= -142.56020559 a.u.
Virial Ratio = -2.00000981