(1s 2 2s 2 2p 4 3p 1 ) 4 D S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 5.196107 | .42566390 |
| 2 | 3p | 3.021230 | -.97128086 |
| 3 | 4p | 3.464155 | -.20509506 |
| 4 | 2p | 9.762138 | .08946208 |
| 5 | 5p | 14.735911 | .00449775 |
| 6 | 5p | 37.517421 | -.00042139 |
| 7 | 4p | 56.334662 | -.00007888 |
| 8 | 5p | 2.682415 | -.02617949 |
| 9 | 3p | 2.232865 | .05056907 |
| ORB.ENERGY,a.u. | -4.425000 | ||
| NORM | 1.000000 | < R > | 1.255338 | < R2 > | 1.804868 | < 1/R > | 1.083602 | < 1/R**2 > | 2.520430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.327974 | 1.22714338 |
| 2 | 3p | 5.926228 | -.32451885 |
| 3 | 5p | 3.061717 | .00505433 |
| 4 | 2p | 11.868770 | .08468269 |
| 5 | 5p | 82.325656 | .00002490 |
| 6 | 4p | 14.130075 | .01451051 |
| 7 | 4p | 2.665974 | -.00503978 |
| 8 | 3p | 103.220567 | .00000591 |
| ORB.ENERGY,a.u. | -12.891000 | ||
| NORM | 1.000000 | < R > | .406248 | < R2 > | .202403 | < 1/R > | 3.157655 | < 1/R**2 > | 13.714281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.809288 | .39322415 |
| 2 | 2s | 6.759661 | -.84809533 |
| 3 | 3s | 6.246810 | -.29777474 |
| 4 | 4s | 17.390190 | .00960475 |
| 5 | 3s | 21.547617 | .00659136 |
| 6 | 5s | 31.087885 | .00081123 |
| 7 | 5s | 5.754835 | -.00795276 |
| 8 | 2s | 58.787576 | .00004331 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .453924 | < R2 > | .242734 | < 1/R > | 3.223355 | < 1/R**2 > | 42.481783 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164090 | .91842752 |
| 2 | 1s | 22.046567 | .07809965 |
| 3 | 2s | 9.753940 | .01984022 |
| 4 | 3s | 11.811713 | -.01989734 |
| 5 | 4s | 14.274263 | .00923946 |
| 6 | 5s | 38.817757 | .00076842 |
| 7 | 4s | 89.744466 | -.00003156 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096906 | < R2 > | .012607 | < 1/R > | 15.590936 | < 1/R**2 > | 489.993491 |
Total Energy= -369.65151821 a.u.
Kinetic Energy= 369.68322289 a.u.
Potential Energy= -739.33474110 a.u.
Virial Ratio = -1.99991424