(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P P 3+
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 | .799102 | .20074292 |
| 2 | 2p | 6.458676 | .15490113 |
| 3 | 3p | 9.458731 | -.02006524 |
| 4 | 4p | 2.314718 | -.62884238 |
| 5 | 5p | 1.340365 | .98638315 |
| 6 | 5p | 4.447891 | -.10956430 |
| 7 | 4p | 13.709953 | .00254663 |
| ORB.ENERGY,a.u. | -.686370 | ||
| NORM | 1.000000 | < R > | 4.125987 | < R2 > | 19.391642 | < 1/R > | .342682 | < 1/R**2 > | .369409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.323805 | -.03897369 |
| 2 | 1s | 11.673579 | .00402039 |
| 3 | 1s | 12.225060 | .11832410 |
| 4 | 2s | 5.074371 | -.41083422 |
| 5 | 3s | 2.172617 | .83531628 |
| 6 | 4s | 3.068756 | .27367320 |
| 7 | 5s | 15.523323 | -.00605386 |
| 8 | 4s | 31.652854 | .00020839 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.638833 | < R2 > | 3.047866 | < 1/R > | .825521 | < 1/R**2 > | 3.971160 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.137783 | .45571040 |
| 2 | 3p | 6.266204 | .49928517 |
| 3 | 4p | 5.006396 | .15167042 |
| 4 | 5p | 3.314554 | .00591306 |
| 5 | 2p | 17.858090 | .00423615 |
| 6 | 5p | 35.873043 | -.00014835 |
| 7 | 3p | 2.390884 | -.00490099 |
| 8 | 3p | 81.471115 | .00000231 |
| 9 | 5p | 1.185153 | -.00018793 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480790 | < R2 > | .288041 | < 1/R > | 2.716695 | < 1/R**2 > | 10.351060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.216103 | .35948004 |
| 2 | 2s | 6.044140 | -.82255982 |
| 3 | 3s | 5.179384 | -.30006646 |
| 4 | 4s | 20.572248 | .00296692 |
| 5 | 3s | 16.769620 | .00624380 |
| 6 | 2s | 2.866432 | -.01305797 |
| 7 | 5s | 38.243275 | .00028801 |
| 8 | 5s | 64.644780 | .00001352 |
| 9 | 5s | 2.267363 | -.00013371 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514461 | < R2 > | .314265 | < 1/R > | 2.837887 | < 1/R**2 > | 33.188465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570243 | 1.01434535 |
| 2 | 2s | 20.445695 | -.02222106 |
| 3 | 3s | 10.614529 | .01924132 |
| 4 | 4s | 57.954850 | -.00049484 |
| 5 | 4s | 10.078068 | .00284011 |
| 6 | 5s | 73.511187 | .00017602 |
| 7 | 5s | 12.470909 | -.00818760 |
| 8 | 2s | 2.310120 | -.00014863 |
| 9 | 2s | 3.208321 | .00024556 |
| 10 | 3s | 116.339084 | -.00000985 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103790 | < R2 > | .014483 | < 1/R > | 14.574920 | < 1/R**2 > | 428.670061 |
Total Energy= -337.44443108 a.u.
Kinetic Energy= 337.42364566 a.u.
Potential Energy= -674.86807674 a.u.
Virial Ratio = -2.00006160