(1s 2 2s 2 2p 3 4p 1 ) 5 P S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 7.770629 | .21884950 |
| 2 | 3p | 1.697911 | 2.15316718 |
| 3 | 4p | 3.557757 | -1.50987345 |
| 4 | 5p | 6.185633 | -.13765623 |
| 5 | 3p | 17.744529 | -.00205008 |
| 6 | 5p | 1.949726 | -.67974560 |
| 7 | 4p | 2.262700 | .36765787 |
| 8 | 4p | 50.109543 | .00002412 |
| ORB.ENERGY,a.u. | -2.876300 | ||
| NORM | .999999 | < R > | 2.251944 | < R2 > | 5.735660 | < 1/R > | .628302 | < 1/R**2 > | 1.125365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.253651 | 1.30080205 |
| 2 | 3p | 7.916724 | -.36490773 |
| 3 | 4p | 9.540516 | .06188509 |
| 4 | 5p | 36.348361 | -.00019739 |
| 5 | 4p | 3.874279 | .01183347 |
| 6 | 3p | 17.302155 | -.00520620 |
| 7 | 5p | 4.048025 | -.00774784 |
| ORB.ENERGY,a.u. | -15.884000 | ||
| NORM | 1.000000 | < R > | .390026 | < R2 > | .185291 | < 1/R > | 3.264717 | < 1/R**2 > | 14.544707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.646349 | .41093934 |
| 2 | 2s | 6.888398 | -.86202141 |
| 3 | 3s | 6.637050 | -.28904681 |
| 4 | 4s | 27.243363 | .00197100 |
| 5 | 3s | 14.618811 | .01724485 |
| 6 | 5s | 6.764422 | -.01465901 |
| 7 | 4s | 2.280444 | .00019406 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .443158 | < R2 > | .230660 | < 1/R > | 3.304611 | < 1/R**2 > | 44.478260 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.175595 | .93717099 |
| 2 | 1s | 23.608236 | .06078773 |
| 3 | 2s | 13.634600 | .01851045 |
| 4 | 3s | 19.158648 | -.01478199 |
| 5 | 4s | 29.378179 | .00271907 |
| 6 | 5s | 55.107822 | .00008613 |
| 7 | 5s | 11.675818 | .00054815 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096745 | < R2 > | .012556 | < 1/R > | 15.607446 | < 1/R**2 > | 490.796733 |
Total Energy= -354.25655679 a.u.
Kinetic Energy= 354.27826830 a.u.
Potential Energy= -708.53482509 a.u.
Virial Ratio = -1.99993872