(1s 2 2s 2 2p 4 5s 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 12.992088 | .06487792 |
| 2 | 2s | 4.409561 | -.38974120 |
| 3 | 3s | 2.203920 | 2.77288532 |
| 4 | 4s | 2.028969 | -5.00878624 |
| 5 | 5s | 1.742315 | 3.10639728 |
| 6 | 5s | 15.770940 | -.00512560 |
| 7 | 4s | 19.033456 | -.00193783 |
| 8 | 5s | 75.551079 | -.00001663 |
| ORB.ENERGY,a.u. | -1.527500 | ||
| NORM | 1.000004 | < R > | 3.943567 | < R2 > | 17.403618 | < 1/R > | .361436 | < 1/R**2 > | 1.260335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.569159 | 1.15081447 |
| 2 | 3p | 6.354923 | -.22764474 |
| 3 | 2p | 12.086741 | .07431019 |
| 4 | 4p | 14.222945 | .01259416 |
| 5 | 5p | 39.903765 | -.00013335 |
| 6 | 5p | 5.980700 | -.00247588 |
| ORB.ENERGY,a.u. | -13.507000 | ||
| NORM | 1.000000 | < R > | .404787 | < R2 > | .200655 | < 1/R > | 3.165572 | < 1/R**2 > | 13.771886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.903755 | .34905881 |
| 2 | 2s | 5.913386 | -.77309365 |
| 3 | 3s | 8.743489 | -.23637815 |
| 4 | 4s | 6.848092 | -.07297671 |
| 5 | 5s | 18.531883 | -.00914747 |
| 6 | 5s | 2.439065 | -.01445970 |
| 7 | 3s | 1.390452 | .01464752 |
| 8 | 3s | 36.450892 | -.00008287 |
| 9 | 4s | 62.058636 | .00000632 |
| 10 | 5s | 45.022469 | .00015135 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452159 | < R2 > | .240803 | < 1/R > | 3.235892 | < 1/R**2 > | 42.784991 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164000 | .91861280 |
| 2 | 1s | 22.082138 | .07788292 |
| 3 | 2s | 10.292150 | .01947367 |
| 4 | 3s | 12.669492 | -.01839796 |
| 5 | 4s | 15.008285 | .00814827 |
| 6 | 5s | 39.002257 | .00073721 |
| 7 | 3s | 59.742379 | -.00007421 |
| 8 | 5s | 1.534979 | -.00446625 |
| 9 | 4s | 1.357499 | .00479158 |
| 10 | 3s | 1.780651 | -.00067148 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096886 | < R2 > | .012603 | < 1/R > | 15.593114 | < 1/R**2 > | 490.100825 |
Total Energy= -366.79465655 a.u.
Kinetic Energy= 366.78696793 a.u.
Potential Energy= -733.58162447 a.u.
Virial Ratio = -2.00002096