(1s 2 2s 2 2p 5 3p 1 ) 3 S Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 3p- electron | |
| 1 | 2p | 5.553039 | .57826064 |
| 2 | 3p | 3.085937 | -1.16744554 |
| 3 | 4p | 8.645636 | -.07796924 |
| 4 | 2p | 13.872243 | .02732193 |
| 5 | 5p | 22.666451 | .00161573 |
| 6 | 4p | 2.425976 | .01469662 |
| 7 | 5p | 2.118171 | -.00595609 |
| 8 | 4p | 37.432014 | .00007703 |
| 9 | 3p | 1.381081 | .00258762 |
| ORB.ENERGY,a.u. | -4.609800 | ||
| NORM | 1.000000 | < R > | 1.204505 | < R2 > | 1.667242 | < 1/R > | 1.141337 | < 1/R**2 > | 2.844942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.046317 | 1.38407199 |
| 2 | 3p | 5.667308 | -.53491644 |
| 3 | 2p | 11.543532 | .13344094 |
| 4 | 4p | 13.513654 | .01663380 |
| 5 | 5p | 3.825466 | .00403899 |
| 6 | 4p | 4.438526 | -.01571847 |
| 7 | 5p | 41.038856 | -.00017144 |
| 8 | 3p | 25.584124 | -.00030960 |
| ORB.ENERGY,a.u. | -13.729000 | ||
| NORM | 1.000000 | < R > | .389196 | < R2 > | .186573 | < 1/R > | 3.310956 | < 1/R**2 > | 15.147067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.575805 | .39213077 |
| 2 | 2s | 7.175887 | -.84319054 |
| 3 | 3s | 6.475079 | -.30548503 |
| 4 | 4s | 16.299360 | .00382810 |
| 5 | 3s | 17.601864 | .00781382 |
| 6 | 5s | 31.053377 | .00148218 |
| 7 | 5s | 5.834978 | -.00571706 |
| 8 | 4s | 37.143778 | .00071673 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430690 | < R2 > | .218847 | < 1/R > | 3.399129 | < 1/R**2 > | 47.353123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184420 | .92713094 |
| 2 | 1s | 23.758848 | .06849004 |
| 3 | 2s | 10.356957 | .02106491 |
| 4 | 3s | 12.788379 | -.02105506 |
| 5 | 4s | 15.729848 | .01063042 |
| 6 | 5s | 40.645221 | .00069469 |
| 7 | 4s | 91.703487 | -.00003583 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091170 | < R2 > | .011162 | < 1/R > | 16.574044 | < 1/R**2 > | 553.723343 |
Total Energy= -436.49962588 a.u.
Kinetic Energy= 436.61128417 a.u.
Potential Energy= -873.11091005 a.u.
Virial Ratio = -1.99974426