(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 11.830277 | .01118432 |
| 2 | 5p | 4.942027 | -.05275612 |
| 3 | 3p | 9.192155 | .02297768 |
| 4 | 3p | .522491 | -.20604364 |
| 5 | 4p | .498506 | .04234086 |
| 6 | 2p | .577355 | .57088734 |
| 7 | 5p | 1.297815 | .69580131 |
| 8 | 4p | 2.476852 | -.26927219 |
| ORB.ENERGY,a.u. | -.500530 | ||
| NORM | 1.000000 | < R > | 4.405014 | < R2 > | 21.118829 | < 1/R > | .252721 | < 1/R**2 > | .091505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.608784 | .35293330 |
| 2 | 2p | 1.573414 | -.52891150 |
| 3 | 3p | 2.196216 | -.67744751 |
| 4 | 2p | 8.998680 | .09833037 |
| 5 | 3p | 14.475608 | -.00349221 |
| 6 | 4p | 1.140653 | .25663472 |
| 7 | 4p | 32.011565 | -.00013643 |
| 8 | 5p | .981676 | .01484826 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.622887 | < R2 > | 3.249913 | < 1/R > | .839331 | < 1/R**2 > | 1.553827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.968287 | -.11023725 |
| 2 | 1s | 11.478565 | .19569155 |
| 3 | 1s | 55.517310 | .00011142 |
| 4 | 2s | 5.202231 | -.40117870 |
| 5 | 3s | 2.317396 | .93508572 |
| 6 | 4s | 3.797502 | .15324500 |
| 7 | 3s | 33.535015 | -.00062373 |
| 8 | 5s | 1.946064 | .01612914 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.546328 | < R2 > | 2.728015 | < 1/R > | .874896 | < 1/R**2 > | 4.433373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.460212 | .00329642 |
| 2 | 2p | 8.916665 | .44603088 |
| 3 | 3p | 6.903158 | .50738166 |
| 4 | 5p | 3.892626 | .00497371 |
| 5 | 4p | 5.526930 | .14862921 |
| 6 | 5p | 29.999030 | -.00017054 |
| 7 | 4p | 32.909063 | -.00020350 |
| 8 | 3p | 5.170965 | .00019406 |
| 9 | 4p | 1.639288 | .00011051 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440152 | < R2 > | .240931 | < 1/R > | 2.958823 | < 1/R**2 > | 12.233697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010352 | .36719084 |
| 2 | 2s | 6.304407 | -.76613963 |
| 3 | 3s | 5.325753 | -.16178814 |
| 4 | 4s | 23.937543 | .00245128 |
| 5 | 2s | 5.338067 | -.19446811 |
| 6 | 3s | 17.639202 | .00553034 |
| 7 | 4s | 3.777843 | -.00198893 |
| 8 | 5s | 46.550657 | .00010950 |
| 9 | 5s | 1.469554 | .00003417 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474485 | < R2 > | .266867 | < 1/R > | 3.080947 | < 1/R**2 > | 39.078448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554793 | 1.01450180 |
| 2 | 2s | 20.546623 | -.02542389 |
| 3 | 3s | 12.084871 | .02046672 |
| 4 | 4s | 16.202525 | -.00018800 |
| 5 | 4s | 31.362513 | .00163363 |
| 6 | 2s | 67.382172 | .00001811 |
| 7 | 5s | 14.495316 | -.00548048 |
| 8 | 3s | 6.557980 | .00045616 |
| 9 | 4s | 4.080928 | -.00001927 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097137 | < R2 > | .012682 | < 1/R > | 15.567892 | < 1/R**2 > | 488.876074 |
Total Energy= -395.56933158 a.u.
Kinetic Energy= 395.57764396 a.u.
Potential Energy= -791.14697555 a.u.
Virial Ratio = -1.99997899