(1s 2 2s 2 2p 4 5p 1 ) 2 D S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 4.419724 | .23773731 |
| 2 | 3p | 2.081981 | -2.51975650 |
| 3 | 4p | 1.902964 | 5.09644399 |
| 4 | 5p | 1.686452 | -3.37407241 |
| 5 | 2p | 9.551921 | .04528400 |
| 6 | 5p | 15.957198 | .00148519 |
| 7 | 4p | 35.997890 | -.00009966 |
| ORB.ENERGY,a.u. | -1.434900 | ||
| NORM | 1.000000 | < R > | 4.071430 | < R2 > | 18.637441 | < 1/R > | .352613 | < 1/R**2 > | .450393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.572529 | 1.14962977 |
| 2 | 3p | 6.324358 | -.22694261 |
| 3 | 2p | 12.131361 | .07364244 |
| 4 | 4p | 14.400111 | .01229695 |
| 5 | 5p | 2.364254 | .01279919 |
| 6 | 5p | 38.058780 | -.00013620 |
| 7 | 4p | 1.922189 | -.01307557 |
| ORB.ENERGY,a.u. | -13.512000 | ||
| NORM | 1.000000 | < R > | .404689 | < R2 > | .200565 | < 1/R > | 3.166229 | < 1/R**2 > | 13.776901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.798783 | .39482135 |
| 2 | 2s | 6.766439 | -.85052947 |
| 3 | 3s | 6.239271 | -.29878058 |
| 4 | 4s | 17.520637 | .00893380 |
| 5 | 3s | 21.226325 | .00676928 |
| 6 | 5s | 31.389614 | .00071277 |
| 7 | 5s | 5.573224 | -.00496204 |
| 8 | 4s | 4.276944 | .00182132 |
| 9 | 2s | 59.302152 | .00003990 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452543 | < R2 > | .241077 | < 1/R > | 3.232681 | < 1/R**2 > | 42.704665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164312 | .91837354 |
| 2 | 1s | 22.032207 | .07826836 |
| 3 | 2s | 9.708691 | .01983844 |
| 4 | 3s | 11.840687 | -.01991816 |
| 5 | 4s | 14.350446 | .00902733 |
| 6 | 5s | 39.001306 | .00079494 |
| 7 | 4s | 91.521588 | -.00002868 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096887 | < R2 > | .012601 | < 1/R > | 15.593033 | < 1/R**2 > | 490.097061 |
Total Energy= -366.69891338 a.u.
Kinetic Energy= 366.69594698 a.u.
Potential Energy= -733.39486036 a.u.
Virial Ratio = -2.00000809