(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 4 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | .135393 | .04285998 |
| 2 | 5p | .943368 | .15267302 |
| 3 | 4p | 3.543109 | -.12164391 |
| 4 | 2p | 7.095015 | .05427616 |
| 5 | 5p | 2.528259 | -.10101996 |
| 6 | 3p | 9.940139 | -.00789551 |
| 7 | 4p | .411285 | -.16932347 |
| 8 | 3p | .440035 | .99880666 |
| 9 | 4p | 33.448600 | -.00005710 |
| 10 | 5p | .206075 | -.02221199 |
| ORB.ENERGY,a.u. | -.253930 | ||
| NORM | 1.000000 | < R > | 7.305297 | < R2 > | 60.809737 | < 1/R > | .168573 | < 1/R**2 > | .069145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.536436 | .77615166 |
| 2 | 2p | 1.771039 | -1.06962384 |
| 3 | 3p | 4.094051 | -.39386533 |
| 4 | 2p | 9.343900 | .09245633 |
| 5 | 3p | 13.203135 | -.00495831 |
| 6 | 4p | 1.650870 | -.13893393 |
| 7 | 5p | .871255 | -.00378080 |
| 8 | 5p | 37.953103 | -.00022466 |
| 9 | 4p | 56.641967 | -.00004038 |
| 10 | 3p | .392740 | -.00203084 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.713906 | < R2 > | 3.456310 | < 1/R > | .781232 | < 1/R**2 > | 1.351244 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185175 | .79332197 |
| 2 | 1s | 9.574723 | .16720620 |
| 3 | 2s | 5.068944 | -.64390659 |
| 4 | 3s | 2.566557 | .46036170 |
| 5 | 4s | 5.008176 | .04052646 |
| 6 | 2s | 9.829676 | -.15330633 |
| 7 | 2s | 16.831066 | -.00694155 |
| 8 | 5s | 1.668272 | -.04656718 |
| 9 | 4s | 29.040678 | .00053671 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507400 | < R2 > | 2.621506 | < 1/R > | .901258 | < 1/R**2 > | 4.713317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398173 | .46606322 |
| 2 | 3p | 7.267668 | .51307742 |
| 3 | 4p | 5.781284 | .11690194 |
| 4 | 5p | 3.745813 | .00318021 |
| 5 | 2p | 19.417788 | .00434028 |
| 6 | 5p | 37.749224 | -.00021230 |
| 7 | 3p | 1.468505 | .00044620 |
| 8 | 4p | 104.031020 | .00000328 |
| 9 | 3p | 29.361121 | -.00015121 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405532 | < R2 > | .204084 | < 1/R > | 3.202461 | < 1/R**2 > | 14.284625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761956 | .37485946 |
| 2 | 2s | 6.932889 | -.76838085 |
| 3 | 3s | 6.439593 | -.16180328 |
| 4 | 4s | 28.145828 | .00175177 |
| 5 | 2s | 4.830230 | -.19791461 |
| 6 | 3s | 17.539022 | .00664723 |
| 7 | 4s | 2.940507 | -.00138080 |
| 8 | 5s | 1.409372 | -.00001418 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441512 | < R2 > | .230948 | < 1/R > | 3.315813 | < 1/R**2 > | 45.242977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577176 | 1.01112622 |
| 2 | 2s | 20.731361 | -.01850457 |
| 3 | 3s | 15.043645 | .01709864 |
| 4 | 4s | 62.495598 | -.00037532 |
| 5 | 4s | 8.165351 | .00126604 |
| 6 | 5s | 80.836256 | .00010689 |
| 7 | 5s | 8.244346 | -.00055025 |
| 8 | 2s | 28.331134 | -.00339257 |
| 9 | 2s | 165.532461 | .00000213 |
| 10 | 3s | 2.245076 | -.00002179 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559960 | < 1/R**2 > | 552.993106 |
Total Energy= -459.13640562 a.u.
Kinetic Energy= 459.14310289 a.u.
Potential Energy= -918.27950851 a.u.
Virial Ratio = -1.99998541