(1s 2 2s 2 2p 4 3d 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | .330826 | 1.00114937 |
| 2 | 3d | 2.834975 | .00279432 |
| 3 | 4d | 1.921056 | .00362347 |
| 4 | 5d | .302361 | -.00248372 |
| ORB.ENERGY,a.u. | -.055203 | ||
| NORM | 1.000000 | < R > | 10.557655 | < R2 > | 127.431848 | < 1/R > | .110698 | < 1/R**2 > | .014805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.211641 | .67479626 |
| 2 | 2p | 3.946337 | .31723912 |
| 3 | 2p | 9.756583 | .01612199 |
| 4 | 3p | 1.527808 | .05833697 |
| 5 | 4p | 9.455135 | .01369570 |
| 6 | 4p | .944480 | -.04659534 |
| 7 | 3p | 12.454209 | .00320172 |
| 8 | 5p | 1.050500 | .03742936 |
| ORB.ENERGY,a.u. | -1.048600 | ||
| NORM | 1.000000 | < R > | .969870 | < R2 > | 1.195325 | < 1/R > | 1.377851 | < 1/R**2 > | 2.732246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460931 | .30431001 |
| 2 | 2s | 3.293224 | -.83922692 |
| 3 | 3s | 2.610089 | -.32103949 |
| 4 | 4s | 4.919048 | .03168827 |
| 5 | 3s | 8.555501 | .02770917 |
| 6 | 5s | 18.520722 | .00090939 |
| 7 | 5s | 2.299527 | -.00551900 |
| 8 | 3s | 31.589833 | -.00006205 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960945 | < R2 > | 1.108681 | < 1/R > | 1.503319 | < 1/R**2 > | 9.295942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231304 | .87192179 |
| 2 | 1s | 12.230903 | .12112032 |
| 3 | 1s | 9.922588 | .00278245 |
| 4 | 2s | 6.011242 | .01817385 |
| 5 | 3s | 8.217913 | -.00759319 |
| 6 | 4s | 17.134990 | .00294010 |
| 7 | 5s | 51.466965 | -.00004146 |
| 8 | 5s | 4.205584 | .00045283 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632443 | < 1/R**2 > | 150.887090 |
Total Energy= -98.88829517 a.u.
Kinetic Energy= 98.88691561 a.u.
Potential Energy= -197.77521078 a.u.
Virial Ratio = -2.00001395