(1s 2 2s 2 2p 4 4p 1 ) 4 D S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 7.757766 | .19627660 |
| 2 | 3p | 1.707986 | 2.17461659 |
| 3 | 4p | 3.274352 | -1.56273902 |
| 4 | 5p | 5.867852 | -.15600740 |
| 5 | 3p | 16.606100 | -.00229665 |
| 6 | 5p | 1.654773 | -.30192992 |
| 7 | 4p | 1.175816 | .09576256 |
| 8 | 3p | .578323 | -.02411863 |
| 9 | 4p | 55.951992 | .00000886 |
| 10 | 5p | .660148 | .01005314 |
| ORB.ENERGY,a.u. | -2.331600 | ||
| NORM | 1.000000 | < R > | 2.467192 | < R2 > | 6.884409 | < 1/R > | .572689 | < 1/R**2 > | .953731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.573230 | 1.14554146 |
| 2 | 3p | 6.336866 | -.22395833 |
| 3 | 2p | 12.100269 | .07445611 |
| 4 | 4p | 14.285153 | .01276142 |
| 5 | 5p | 38.546846 | -.00012724 |
| 6 | 5p | 2.609088 | -.00046065 |
| ORB.ENERGY,a.u. | -13.322000 | ||
| NORM | 1.000000 | < R > | .405048 | < R2 > | .200956 | < 1/R > | 3.164137 | < 1/R**2 > | 13.761550 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.773489 | .39573483 |
| 2 | 2s | 6.771032 | -.85116496 |
| 3 | 3s | 6.238015 | -.29848968 |
| 4 | 4s | 16.786279 | .00774524 |
| 5 | 3s | 19.571011 | .00792948 |
| 6 | 5s | 32.470445 | .00070536 |
| 7 | 5s | 5.807891 | -.00482498 |
| 8 | 4s | 3.052689 | .00052339 |
| 9 | 2s | 76.737340 | .00001244 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452846 | < R2 > | .241430 | < 1/R > | 3.230546 | < 1/R**2 > | 42.653028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.163681 | .91846462 |
| 2 | 1s | 22.041202 | .07818380 |
| 3 | 2s | 9.724246 | .01980632 |
| 4 | 3s | 11.836914 | -.01991784 |
| 5 | 4s | 14.323247 | .00908546 |
| 6 | 5s | 38.988450 | .00077671 |
| 7 | 4s | 90.185836 | -.00002998 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096891 | < R2 > | .012603 | < 1/R > | 15.592532 | < 1/R**2 > | 490.072232 |
Total Energy= -367.58186324 a.u.
Kinetic Energy= 367.59190531 a.u.
Potential Energy= -735.17376855 a.u.
Virial Ratio = -1.99997268