(1s 2 2s 2 2p 5 3d 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 2.193070 | 1.16922166 |
| 2 | 3d | 5.957549 | .04247769 |
| 3 | 4d | 2.788476 | -.19976796 |
| 4 | 5d | 9.453528 | -.00140086 |
| 5 | 4d | 36.811781 | .00002411 |
| 6 | 5d | 1.987282 | .01492054 |
| ORB.ENERGY,a.u. | -2.134800 | ||
| NORM | 1.000000 | < R > | 1.575664 | < R2 > | 2.884609 | < 1/R > | .759376 | < 1/R**2 > | .719708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.758815 | 1.24395184 |
| 2 | 3p | 5.545140 | -.33375484 |
| 3 | 2p | 11.100544 | .08456501 |
| 4 | 4p | 13.317143 | .01512359 |
| 5 | 5p | 83.472532 | .00001172 |
| 6 | 5p | 3.206559 | .00084546 |
| ORB.ENERGY,a.u. | -8.843400 | ||
| NORM | 1.000000 | < R > | .460739 | < R2 > | .262583 | < 1/R > | 2.811990 | < 1/R**2 > | 10.995569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.127309 | .37240661 |
| 2 | 2s | 6.153815 | -.83437691 |
| 3 | 3s | 5.411952 | -.30337662 |
| 4 | 4s | 17.940700 | .00479020 |
| 5 | 3s | 17.628195 | .00666474 |
| 6 | 5s | 35.712991 | .00048074 |
| 7 | 5s | 4.816214 | -.00406137 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502140 | < R2 > | .298261 | < 1/R > | 2.907894 | < 1/R**2 > | 34.720056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.205093 | .92329683 |
| 2 | 1s | 20.988617 | .07299232 |
| 3 | 2s | 8.549619 | .02099127 |
| 4 | 3s | 10.663723 | -.02129139 |
| 5 | 4s | 13.412339 | .01066392 |
| 6 | 5s | 35.842531 | .00080563 |
| 7 | 4s | 81.126315 | -.00003845 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103667 | < R2 > | .014441 | < 1/R > | 14.585629 | < 1/R**2 > | 429.155912 |
Total Energy= -328.41571807 a.u.
Kinetic Energy= 328.45134199 a.u.
Potential Energy= -656.86706006 a.u.
Virial Ratio = -1.99989154