(1s 2 2s 2 2p 6 3s 2 3p 3 4p 1 ) 3 P Cl +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | .335797 | .04121906 |
| 2 | 5p | 1.079527 | .44361175 |
| 3 | 4p | 3.675375 | -.13165535 |
| 4 | 2p | 7.080300 | .06090341 |
| 5 | 5p | 2.543068 | -.15480866 |
| 6 | 3p | 10.159859 | -.00938094 |
| 7 | 4p | .556666 | -.22749999 |
| 8 | 3p | .582902 | .77064542 |
| 9 | 5p | 21.204199 | .00033717 |
| ORB.ENERGY,a.u. | -.265070 | ||
| NORM | 1.000000 | < R > | 5.451131 | < R2 > | 32.871004 | < 1/R > | .215392 | < 1/R**2 > | .094185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.168454 | .49089913 |
| 2 | 2p | 1.756153 | -1.19015937 |
| 3 | 3p | 10.210596 | -.05987514 |
| 4 | 4p | 5.359437 | .13328896 |
| 5 | 5p | 11.303976 | -.02016805 |
| 6 | 3p | .803193 | .02170799 |
| 7 | 4p | 35.266659 | -.00008356 |
| 8 | 5p | .584487 | -.03358617 |
| 9 | 4p | .527087 | .04334793 |
| ORB.ENERGY,a.u. | -.821590 | ||
| NORM | 1.000000 | < R > | 1.585540 | < R2 > | 2.907321 | < 1/R > | .837456 | < 1/R**2 > | 1.537040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.254066 | .53149777 |
| 2 | 1s | 13.470290 | .11004570 |
| 3 | 2s | 5.039474 | -.54779896 |
| 4 | 3s | 2.525409 | .63604509 |
| 5 | 4s | 4.558565 | .08400324 |
| 6 | 2s | 8.076983 | -.11573952 |
| 7 | 4s | 26.058668 | .00110162 |
| 8 | 2s | 31.938160 | -.00016664 |
| 9 | 5s | 1.744873 | -.02920011 |
| ORB.ENERGY,a.u. | -1.507900 | ||
| NORM | 1.000000 | < R > | 1.460948 | < R2 > | 2.447952 | < 1/R > | .929740 | < 1/R**2 > | 5.029375 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.343915 | .46874336 |
| 2 | 3p | 7.253870 | .50896729 |
| 3 | 4p | 5.786558 | .11608415 |
| 4 | 5p | 3.779709 | .00268554 |
| 5 | 2p | 17.202126 | .00684150 |
| 6 | 5p | 37.236417 | -.00017911 |
| 7 | 3p | 22.273011 | -.00092913 |
| 8 | 4p | 100.585329 | .00000338 |
| 9 | 3p | .792347 | .00005760 |
| ORB.ENERGY,a.u. | -8.413200 | ||
| NORM | 1.000000 | < R > | .405185 | < R2 > | .203643 | < 1/R > | 3.204280 | < 1/R**2 > | 14.298045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.756747 | .37532284 |
| 2 | 2s | 6.934833 | -.76908599 |
| 3 | 3s | 6.429759 | -.16170714 |
| 4 | 4s | 28.171320 | .00175672 |
| 5 | 2s | 4.847399 | -.19777304 |
| 6 | 3s | 17.494584 | .00673738 |
| 7 | 5s | 3.484831 | -.00090502 |
| ORB.ENERGY,a.u. | -10.912000 | ||
| NORM | 1.000000 | < R > | .441186 | < R2 > | .230557 | < 1/R > | 3.318078 | < 1/R**2 > | 45.299110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577765 | 1.01109509 |
| 2 | 2s | 20.715145 | -.01846368 |
| 3 | 3s | 15.044849 | .01708993 |
| 4 | 4s | 61.917025 | -.00038630 |
| 5 | 4s | 8.075037 | .00128943 |
| 6 | 5s | 79.696865 | .00011136 |
| 7 | 5s | 8.180480 | -.00058171 |
| 8 | 2s | 28.415238 | -.00339131 |
| 9 | 2s | 163.718024 | .00000226 |
| 10 | 3s | 2.077515 | -.00001442 |
| ORB.ENERGY,a.u. | -104.700000 |
| NORM | 1.000000 | < R > | .091289 | < R2 > | .011198 | < 1/R > | 16.560391 | < 1/R**2 > | 553.015215 |
Total Energy= -458.49734267 a.u.
Kinetic Energy= 458.49149543 a.u.
Potential Energy= -916.98883810 a.u.
Virial Ratio = -2.00001275