(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P S 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.055582 | .30683470 |
| 2 | 2p | 7.221101 | .15815217 |
| 3 | 3p | 10.846846 | -.01398477 |
| 4 | 4p | 2.697951 | -.72870715 |
| 5 | 5p | 1.620948 | .97541005 |
| 6 | 5p | 5.095914 | -.12172066 |
| 7 | 4p | 15.442903 | .00195292 |
| ORB.ENERGY,a.u. | -1.036500 | ||
| NORM | 1.000000 | < R > | 3.430888 | < R2 > | 13.376671 | < 1/R > | .411880 | < 1/R**2 > | .526043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.506211 | -.07926810 |
| 2 | 1s | 3.415565 | .04645461 |
| 3 | 1s | 13.024386 | .12818156 |
| 4 | 2s | 5.532325 | -.46910960 |
| 5 | 3s | 2.482644 | .80406373 |
| 6 | 4s | 3.397899 | .34078927 |
| 7 | 5s | 16.906558 | -.00526083 |
| 8 | 4s | 32.461826 | .00022930 |
| ORB.ENERGY,a.u. | -2.601800 | ||
| NORM | 1.000000 | < R > | 1.445594 | < R2 > | 2.368278 | < 1/R > | .944709 | < 1/R**2 > | 5.266226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.909943 | .44733639 |
| 2 | 3p | 7.002924 | .48798476 |
| 3 | 5p | 4.798806 | .00950515 |
| 4 | 4p | 5.780631 | .16066433 |
| 5 | 2p | 19.459132 | .00352883 |
| 6 | 5p | 38.143898 | -.00015457 |
| 7 | 3p | 89.931058 | .00000227 |
| 8 | 4p | .711632 | -.00128664 |
| 9 | 5p | .820928 | .00117042 |
| ORB.ENERGY,a.u. | -8.689900 | ||
| NORM | 1.000000 | < R > | .437911 | < R2 > | .238009 | < 1/R > | 2.969561 | < 1/R**2 > | 12.308946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.942884 | .37041819 |
| 2 | 2s | 6.562312 | -.82496825 |
| 3 | 3s | 5.708141 | -.30004151 |
| 4 | 4s | 25.934027 | .00199541 |
| 5 | 3s | 16.072869 | .00831017 |
| 6 | 2s | 3.373647 | -.01622355 |
| 7 | 4s | 2.817707 | -.00032996 |
| 8 | 5s | 52.617844 | .00003127 |
| ORB.ENERGY,a.u. | -11.103000 | ||
| NORM | 1.000000 | < R > | .473992 | < R2 > | .266254 | < 1/R > | 3.083962 | < 1/R**2 > | 39.147246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.602056 | 1.00995425 |
| 2 | 2s | 21.966212 | -.01868469 |
| 3 | 3s | 12.508996 | .01839702 |
| 4 | 3s | 72.715559 | -.00010661 |
| 5 | 4s | 9.946085 | .00185801 |
| 6 | 4s | 54.204944 | -.00035393 |
| 7 | 5s | 13.754976 | -.00444005 |
| 8 | 2s | 122.143156 | -.00000407 |
| 9 | 3s | 3.508729 | .00000903 |
| 10 | 5s | 3.250437 | -.00003260 |
| ORB.ENERGY,a.u. | -93.690000 |
| NORM | 1.000000 | < R > | .097129 | < R2 > | .012680 | < 1/R > | 15.568808 | < 1/R**2 > | 488.923291 |
Total Energy= -391.83272232 a.u.
Kinetic Energy= 391.81066683 a.u.
Potential Energy= -783.64338915 a.u.
Virial Ratio = -2.00005629