(1s 2 2s 2 2p 4 5p 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 3.925226 | .27652485 |
| 2 | 3p | 2.058257 | -2.67705252 |
| 3 | 4p | 1.860002 | 5.45718706 |
| 4 | 5p | 1.672701 | -3.63554280 |
| 5 | 2p | 9.558996 | .04084709 |
| 6 | 5p | 12.083486 | .00130698 |
| 7 | 4p | 30.767829 | -.00021931 |
| ORB.ENERGY,a.u. | -1.413100 | ||
| NORM | .999999 | < R > | 4.133512 | < R2 > | 19.214386 | < 1/R > | .341944 | < 1/R**2 > | .391947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.545794 | 1.02911061 |
| 2 | 3p | 6.088056 | -.14716464 |
| 3 | 2p | 10.358399 | .13756017 |
| 4 | 4p | 29.573466 | -.00037179 |
| 5 | 5p | 2.170374 | .04929274 |
| 6 | 4p | 1.660575 | -.04582606 |
| 7 | 3p | 16.084106 | -.00662386 |
| 8 | 3p | 1.109428 | -.00412984 |
| ORB.ENERGY,a.u. | -13.490000 | ||
| NORM | 1.000000 | < R > | .404504 | < R2 > | .201162 | < 1/R > | 3.168078 | < 1/R**2 > | 13.789398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.765282 | .39638084 |
| 2 | 2s | 6.772923 | -.85189359 |
| 3 | 3s | 6.215011 | -.29968438 |
| 4 | 4s | 17.435291 | .00779470 |
| 5 | 3s | 19.792285 | .00708188 |
| 6 | 5s | 34.341190 | .00062892 |
| 7 | 5s | 5.059044 | -.00260559 |
| 8 | 4s | 3.630606 | .00096839 |
| 9 | 2s | 86.067119 | .00000676 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452538 | < R2 > | .241071 | < 1/R > | 3.232720 | < 1/R**2 > | 42.705630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164310 | .91837865 |
| 2 | 1s | 22.032535 | .07826448 |
| 3 | 2s | 9.710340 | .01983466 |
| 4 | 3s | 11.841266 | -.01991666 |
| 5 | 4s | 14.347454 | .00902992 |
| 6 | 5s | 39.002097 | .00079414 |
| 7 | 4s | 91.465037 | -.00002874 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096887 | < R2 > | .012601 | < 1/R > | 15.593049 | < 1/R**2 > | 490.097968 |
Total Energy= -366.69649686 a.u.
Kinetic Energy= 366.67428610 a.u.
Potential Energy= -733.37078297 a.u.
Virial Ratio = -2.00006057