(1s 2 2s 2 2p 1 3d 1 ) 1 F S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3.729167 | .96511753 |
| 2 | 3d | 9.047764 | .01489555 |
| 3 | 4d | 3.242256 | .04042168 |
| 4 | 5d | 25.753231 | -.00015056 |
| 5 | 5d | 3.229729 | -.01106938 |
| ORB.ENERGY,a.u. | -6.759900 | ||
| NORM | 1.000000 | < R > | .941819 | < R2 > | 1.016921 | < 1/R > | 1.245046 | < 1/R**2 > | 1.875716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.673478 | 1.09256514 |
| 2 | 3p | 8.053847 | -.10223139 |
| 3 | 2p | 17.287034 | .01023409 |
| 4 | 5p | 20.999363 | .00184902 |
| 5 | 4p | 4.296774 | -.00183766 |
| 6 | 2p | 76.703778 | -.00000236 |
| ORB.ENERGY,a.u. | -19.295000 | ||
| NORM | 1.000000 | < R > | .365377 | < R2 > | .161299 | < 1/R > | 3.452999 | < 1/R**2 > | 16.102249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.783648 | .37709663 |
| 2 | 2s | 6.088329 | -.80972050 |
| 3 | 3s | 8.855632 | -.28270421 |
| 4 | 4s | 30.134844 | .00119850 |
| 5 | 5s | 17.105987 | -.01006869 |
| 6 | 5s | 6.771533 | .01392852 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425657 | < R2 > | .212115 | < 1/R > | 3.450508 | < 1/R**2 > | 48.164094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177585 | .93844418 |
| 2 | 1s | 24.164997 | .05916260 |
| 3 | 2s | 14.658230 | .02480991 |
| 4 | 3s | 23.785201 | -.00868427 |
| 5 | 4s | 19.579526 | -.01244190 |
| 6 | 5s | 41.708935 | .00065704 |
| 7 | 5s | 9.117578 | .00006608 |
| 8 | 3s | 71.758313 | -.00003299 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096364 | < R2 > | .012436 | < 1/R > | 15.647224 | < 1/R**2 > | 492.744908 |
Total Energy= -323.31893804 a.u.
Kinetic Energy= 323.14293534 a.u.
Potential Energy= -646.46187338 a.u.
Virial Ratio = -2.00054466