(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 2 P S +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 11.136153 | .04294100 |
| 2 | 2s | 6.120721 | -.12051768 |
| 3 | 3s | 2.549287 | .28515626 |
| 4 | 4s | .923737 | -1.01261509 |
| 5 | 5s | 1.431027 | -.41900308 |
| 6 | 4s | 25.130164 | .00016527 |
| 7 | 5s | 7.774721 | -.02089656 |
| 8 | 3s | .906401 | .41214374 |
| 9 | 2s | 16.587671 | -.00204113 |
| 10 | 5s | .370695 | -.00045689 |
| ORB.ENERGY,a.u. | -.480760 | ||
| NORM | 1.000000 | < R > | 4.773035 | < R2 > | 25.368329 | < 1/R > | .259593 | < 1/R**2 > | .393222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.515938 | .32214301 |
| 2 | 2p | 1.455599 | -.76419919 |
| 3 | 3p | 2.146238 | -.35734321 |
| 4 | 2p | 8.845080 | .09113964 |
| 5 | 4p | 1.529861 | .02935013 |
| 6 | 3p | 13.331283 | -.00421127 |
| 7 | 4p | 31.901252 | -.00017080 |
| 8 | 3p | .905347 | .00385229 |
| ORB.ENERGY,a.u. | -.994800 | ||
| NORM | 1.000000 | < R > | 1.774307 | < R2 > | 3.642728 | < 1/R > | .747130 | < 1/R**2 > | 1.229686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.347276 | 2.00031539 |
| 2 | 1s | 15.680515 | .03698312 |
| 3 | 2s | 5.609342 | -1.07335442 |
| 4 | 3s | 1.446594 | -.16060850 |
| 5 | 4s | 4.553843 | -.37773039 |
| 6 | 5s | 7.342215 | -.12620794 |
| 7 | 4s | .808297 | -.00452666 |
| 8 | 3s | 50.728030 | -.00025461 |
| 9 | 4s | 74.934473 | .00008074 |
| 10 | 2s | 157.860358 | -.00000242 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000001 | < R > | 1.592696 | < R2 > | 2.901769 | < 1/R > | .847286 | < 1/R**2 > | 4.136430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.081865 | .42975669 |
| 2 | 3p | 7.049703 | .50756644 |
| 3 | 4p | 5.660722 | .16644231 |
| 4 | 5p | 4.151946 | .00822576 |
| 5 | 2p | 26.921966 | .00118579 |
| 6 | 3p | 27.529963 | .00066135 |
| 7 | 4p | 1.949276 | .00032203 |
| 8 | 5p | 46.400441 | -.00002827 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .440690 | < R2 > | .241626 | < 1/R > | 2.956183 | < 1/R**2 > | 12.215055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.998689 | .36729269 |
| 2 | 2s | 6.341137 | -.76538309 |
| 3 | 3s | 5.383805 | -.16480901 |
| 4 | 4s | 25.477501 | .00219024 |
| 5 | 2s | 5.217725 | -.19276266 |
| 6 | 3s | 16.700552 | .00651820 |
| 7 | 4s | 3.720882 | -.00354383 |
| 8 | 5s | .983910 | .00014361 |
| 9 | 5s | 53.071718 | .00004185 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475054 | < R2 > | .267607 | < 1/R > | 3.077577 | < 1/R**2 > | 39.001175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554479 | 1.01449633 |
| 2 | 2s | 21.754730 | -.02193014 |
| 3 | 3s | 10.719026 | .02053663 |
| 4 | 4s | 64.143425 | -.00032726 |
| 5 | 4s | 11.366745 | .00171482 |
| 6 | 5s | 84.399350 | .00010263 |
| 7 | 5s | 13.173193 | -.00938973 |
| 8 | 2s | 192.975498 | .00000082 |
| 9 | 3s | 2.003085 | -.00012334 |
| 10 | 2s | 1.476106 | .00012713 |
| 11 | 3s | 162.108015 | -.00000066 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567262 | < 1/R**2 > | 488.845427 |
Total Energy= -396.66778328 a.u.
Kinetic Energy= 396.65809783 a.u.
Potential Energy= -793.32588112 a.u.
Virial Ratio = -2.00002442