(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 F S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | .924638 | 1.18015109 |
| 2 | 4d | .795589 | -2.16026365 |
| 3 | 3d | 1.833430 | .55794096 |
| 4 | 4d | 2.122616 | -.36814646 |
| 5 | 5d | 3.557196 | -.04073210 |
| 6 | 5d | .943269 | .41775731 |
| 7 | 3d | 6.769499 | .00948637 |
| 8 | 4d | 41.238264 | .00000361 |
| ORB.ENERGY,a.u. | -.302040 | ||
| NORM | 1.000002 | < R > | 6.167749 | < R2 > | 44.986465 | < 1/R > | .241071 | < 1/R**2 > | .115900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.577004 | .33254150 |
| 2 | 2p | 1.542897 | -.56945664 |
| 3 | 3p | 2.220933 | -.53762084 |
| 4 | 2p | 8.970320 | .09229710 |
| 5 | 3p | 14.346492 | -.00338406 |
| 6 | 4p | .612321 | -.24293363 |
| 7 | 5p | .695645 | .11599312 |
| 8 | 4p | 32.119670 | -.00012781 |
| 9 | 3p | .527002 | .12979608 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.697436 | < R2 > | 3.329042 | < 1/R > | .785211 | < 1/R**2 > | 1.363503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.049646 | -.27427202 |
| 2 | 1s | 11.680382 | .17656376 |
| 3 | 1s | 80.822552 | .00003701 |
| 4 | 2s | 5.645150 | -.22553528 |
| 5 | 3s | 2.289829 | .93936263 |
| 6 | 4s | 3.958889 | .20113023 |
| 7 | 3s | 34.908836 | -.00069972 |
| 8 | 5s | 1.738165 | .01693604 |
| 9 | 4s | 1.403200 | -.01069784 |
| 10 | 4s | 97.450311 | -.00001347 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.549117 | < R2 > | 2.737798 | < 1/R > | .873048 | < 1/R**2 > | 4.412454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.456237 | .00329298 |
| 2 | 2p | 8.915099 | .44637994 |
| 3 | 3p | 6.902691 | .50714999 |
| 4 | 5p | 3.848716 | .00512293 |
| 5 | 4p | 5.528019 | .14866135 |
| 6 | 5p | 30.504921 | -.00021297 |
| 7 | 4p | 34.364413 | -.00017295 |
| 8 | 3p | 1.201755 | .00015381 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440105 | < R2 > | .240899 | < 1/R > | 2.959247 | < 1/R**2 > | 12.237206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010294 | .36727823 |
| 2 | 2s | 6.305263 | -.76623026 |
| 3 | 3s | 5.325514 | -.16181831 |
| 4 | 4s | 23.767844 | .00247832 |
| 5 | 2s | 5.337836 | -.19451455 |
| 6 | 3s | 17.783146 | .00546587 |
| 7 | 4s | 3.634078 | -.00177929 |
| 8 | 5s | 46.013883 | .00011147 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474382 | < R2 > | .266746 | < 1/R > | 3.081643 | < 1/R**2 > | 39.094923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554980 | 1.01449855 |
| 2 | 2s | 20.543731 | -.02542158 |
| 3 | 3s | 12.091824 | .02045172 |
| 4 | 4s | 16.236998 | -.00018793 |
| 5 | 4s | 31.378885 | .00163465 |
| 6 | 2s | 67.412981 | .00001807 |
| 7 | 5s | 14.510365 | -.00547270 |
| 8 | 3s | 6.587099 | .00045303 |
| 9 | 4s | 3.582063 | -.00001293 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097134 | < R2 > | .012681 | < 1/R > | 15.568149 | < 1/R**2 > | 488.888727 |
Total Energy= -395.41424506 a.u.
Kinetic Energy= 395.37950831 a.u.
Potential Energy= -790.79375337 a.u.
Virial Ratio = -2.00008786