(1s 2 2s 2 2p 6 3s 2 3p 3 5p 1 ) 3 P Cl +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 4p | .855107 | .89564282 |
| 2 | 5p | .565540 | -1.30803685 |
| 3 | 3p | 2.665662 | -.11937938 |
| 4 | 2p | 10.544943 | .00759905 |
| 5 | 2p | 5.465866 | .03879184 |
| 6 | 5p | 2.276890 | -.08265850 |
| 7 | 4p | 30.934753 | -.00006360 |
| ORB.ENERGY,a.u. | -.139900 | ||
| NORM | 1.000003 | < R > | 10.402070 | < R2 > | 120.976088 | < 1/R > | .122218 | < 1/R**2 > | .040222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.234236 | .47644329 |
| 2 | 2p | 1.753602 | -1.18636316 |
| 3 | 3p | 10.399429 | -.05402725 |
| 4 | 4p | 5.436345 | .13779863 |
| 5 | 5p | 11.514278 | -.01881595 |
| 6 | 5p | .584295 | -.02203525 |
| 7 | 3p | 1.333483 | .01118508 |
| 8 | 4p | 34.872923 | -.00007629 |
| 9 | 4p | .715388 | .01334372 |
| ORB.ENERGY,a.u. | -.821590 | ||
| NORM | 1.000000 | < R > | 1.594998 | < R2 > | 2.962161 | < 1/R > | .834503 | < 1/R**2 > | 1.528470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.256479 | .53085507 |
| 2 | 1s | 13.475302 | .11011392 |
| 3 | 2s | 5.041056 | -.54808385 |
| 4 | 3s | 2.528176 | .63655624 |
| 5 | 4s | 4.547401 | .08419921 |
| 6 | 2s | 8.069745 | -.11600510 |
| 7 | 4s | 26.069636 | .00111048 |
| 8 | 2s | 32.260045 | -.00015930 |
| 9 | 5s | 1.738384 | -.02915358 |
| ORB.ENERGY,a.u. | -1.507900 | ||
| NORM | 1.000000 | < R > | 1.459434 | < R2 > | 2.442523 | < 1/R > | .930756 | < 1/R**2 > | 5.041082 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.343342 | .46884273 |
| 2 | 3p | 7.253793 | .50887334 |
| 3 | 4p | 5.787711 | .11604918 |
| 4 | 5p | 3.783022 | .00267549 |
| 5 | 2p | 17.204776 | .00684013 |
| 6 | 5p | 37.313506 | -.00017790 |
| 7 | 3p | 22.254473 | -.00093041 |
| 8 | 4p | 100.430369 | .00000334 |
| 9 | 3p | 1.002165 | .00004520 |
| ORB.ENERGY,a.u. | -8.413200 | ||
| NORM | 1.000000 | < R > | .405158 | < R2 > | .203611 | < 1/R > | 3.204442 | < 1/R**2 > | 14.299287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.756839 | .37534362 |
| 2 | 2s | 6.934994 | -.76910112 |
| 3 | 3s | 6.431358 | -.16169762 |
| 4 | 4s | 28.171108 | .00175382 |
| 5 | 2s | 4.847031 | -.19777792 |
| 6 | 3s | 17.502796 | .00673483 |
| 7 | 5s | 3.418671 | -.00086452 |
| ORB.ENERGY,a.u. | -10.912000 | ||
| NORM | 1.000000 | < R > | .441155 | < R2 > | .230519 | < 1/R > | 3.318299 | < 1/R**2 > | 45.304582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577796 | 1.01109448 |
| 2 | 2s | 20.713750 | -.01846310 |
| 3 | 3s | 15.045773 | .01708874 |
| 4 | 4s | 61.932163 | -.00038647 |
| 5 | 4s | 8.072853 | .00129018 |
| 6 | 5s | 79.703865 | .00011138 |
| 7 | 5s | 8.178373 | -.00058192 |
| 8 | 2s | 28.415802 | -.00339139 |
| 9 | 2s | 164.650620 | .00000223 |
| 10 | 3s | 2.070212 | -.00001418 |
| ORB.ENERGY,a.u. | -104.700000 |
| NORM | 1.000000 | < R > | .091289 | < R2 > | .011198 | < 1/R > | 16.560434 | < 1/R**2 > | 553.017407 |
Total Energy= -458.36883140 a.u.
Kinetic Energy= 458.36633621 a.u.
Potential Energy= -916.73516762 a.u.
Virial Ratio = -2.00000544