(1s 2 2s 2 2p 4 3p 1 ) 4 S S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 2p | 4.975748 | .42099564 |
| 2 | 3p | 3.022407 | -.95243558 |
| 3 | 4p | 3.352963 | -.20249302 |
| 4 | 2p | 9.644320 | .09495156 |
| 5 | 5p | 15.052867 | .00371503 |
| 6 | 5p | 39.075915 | -.00033811 |
| 7 | 4p | 59.410339 | -.00005806 |
| 8 | 5p | 2.824961 | -.00918331 |
| ORB.ENERGY,a.u. | -4.350200 | ||
| NORM | 1.000000 | < R > | 1.276829 | < R2 > | 1.861459 | < 1/R > | 1.053689 | < 1/R**2 > | 2.361482 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.572221 | 1.15368297 |
| 2 | 3p | 6.351173 | -.23017073 |
| 3 | 2p | 12.130649 | .07267211 |
| 4 | 5p | 40.864569 | -.00013165 |
| 5 | 4p | 14.191149 | .01204807 |
| 6 | 5p | 3.039417 | -.00033857 |
| ORB.ENERGY,a.u. | -12.816000 | ||
| NORM | 1.000000 | < R > | .405273 | < R2 > | .201190 | < 1/R > | 3.162526 | < 1/R**2 > | 13.748340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.811629 | .39315299 |
| 2 | 2s | 6.759200 | -.84825498 |
| 3 | 3s | 6.246698 | -.29777433 |
| 4 | 4s | 17.387878 | .00977198 |
| 5 | 3s | 21.751754 | .00651039 |
| 6 | 5s | 30.803565 | .00087718 |
| 7 | 5s | 5.743574 | -.00770836 |
| 8 | 2s | 58.265316 | .00004684 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .453873 | < R2 > | .242670 | < 1/R > | 3.223670 | < 1/R**2 > | 42.489195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164077 | .91841829 |
| 2 | 1s | 22.045884 | .07810958 |
| 3 | 2s | 9.751744 | .01984272 |
| 4 | 3s | 11.811969 | -.01989786 |
| 5 | 4s | 14.276061 | .00923640 |
| 6 | 5s | 38.819990 | .00076970 |
| 7 | 4s | 89.827945 | -.00003145 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096906 | < R2 > | .012607 | < 1/R > | 15.590944 | < 1/R**2 > | 489.993982 |
Total Energy= -369.65224580 a.u.
Kinetic Energy= 369.60853531 a.u.
Potential Energy= -739.26078111 a.u.
Virial Ratio = -2.00011826