(1s 2 2s 2 2p 5 5p 1 ) 1 S Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 3.854673 | .28443641 |
| 2 | 3p | 2.096731 | -2.52428809 |
| 3 | 4p | 1.831376 | 5.48429009 |
| 4 | 5p | 1.673791 | -3.87235996 |
| 5 | 2p | 10.571645 | .03135648 |
| 6 | 5p | 16.259616 | .00056498 |
| 7 | 5p | 1.564001 | .02377518 |
| 8 | 4p | 35.542916 | -.00009019 |
| ORB.ENERGY,a.u. | -1.409600 | ||
| NORM | .999999 | < R > | 4.144350 | < R2 > | 19.311660 | < 1/R > | .336564 | < 1/R**2 > | .358497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.003436 | 1.18066926 |
| 2 | 3p | 7.299216 | -.23537087 |
| 3 | 2p | 13.306436 | .05583992 |
| 4 | 4p | 15.612846 | .00861274 |
| 5 | 5p | 2.122829 | .05552884 |
| 6 | 4p | 1.574010 | -.05619591 |
| 7 | 5p | 42.826819 | -.00013088 |
| ORB.ENERGY,a.u. | -14.271000 | ||
| NORM | 1.000000 | < R > | .386773 | < R2 > | .185152 | < 1/R > | 3.326629 | < 1/R**2 > | 15.264721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.610861 | .39162420 |
| 2 | 2s | 7.169231 | -.84293955 |
| 3 | 3s | 6.487840 | -.30510655 |
| 4 | 4s | 18.155432 | .00541167 |
| 5 | 3s | 20.624882 | .00681626 |
| 6 | 5s | 35.234108 | .00060126 |
| 7 | 5s | 5.614659 | -.00336068 |
| 8 | 4s | 3.875412 | .00138391 |
| 9 | 3s | 2.741349 | -.00041173 |
| 10 | 2s | 83.839035 | .00000977 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429472 | < R2 > | .217449 | < 1/R > | 3.408143 | < 1/R**2 > | 47.580176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183630 | .92695774 |
| 2 | 1s | 23.719495 | .06885628 |
| 3 | 2s | 10.134007 | .02132461 |
| 4 | 3s | 12.561559 | -.02160669 |
| 5 | 4s | 15.573740 | .01061909 |
| 6 | 5s | 40.435026 | .00069919 |
| 7 | 4s | 93.152320 | -.00003743 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091155 | < R2 > | .011158 | < 1/R > | 16.575925 | < 1/R**2 > | 553.822118 |
Total Energy= -433.45294978 a.u.
Kinetic Energy= 433.41467133 a.u.
Potential Energy= -866.86762112 a.u.
Virial Ratio = -2.00008832